CHEMBL243 Ki
BioactivityChEMBL CHEMBL243 Ki bioactivity data
1654 compounds · Target: Human immunodeficiency virus type 1 protease ( CHEMBL243 ↗ ) · UniProt: Q72874 ↗ · Ki
Human immunodeficiency virus type 1 protease, a molecular target studied in Human immunodeficiency virus 1.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
75533 ↗ |
CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2ccccc2)=C(O)O1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
35.00 | Ki | CHEMBL143235 | ChEMBL ↗ |
|
75586 ↗ |
Cc1cc(SC2=C(O)OC(CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
410.00×10-3 | Ki | CHEMBL169391 | ChEMBL ↗ |
|
75631 ↗ |
CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1ccc(N)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.10 | Ki | CHEMBL178421 | ChEMBL ↗ |
|
75648 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1)C(=O)NCc1nc2ccccc2[nH]1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
36.00 | Ki | CHEMBL1790517 | ChEMBL ↗ |
|
75649 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)C1CCCCC1)C(=O)NCc1ccccn1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
22.00 | Ki | CHEMBL1790518 | ChEMBL ↗ |
|
75687 ↗ |
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
87.00 | Ki | CHEMBL18389 | ChEMBL ↗ |
|
75698 ↗ |
Cc1cccc(C)c1OCC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)C[C@@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.40×103 | Ki | CHEMBL194238 | ChEMBL ↗ |
|
75700 ↗ |
CCC(C)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
210.00×103 | Ki | CHEMBL194856 | ChEMBL ↗ |
|
75701 ↗ |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(N)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.00×103 | Ki | CHEMBL195072 | ChEMBL ↗ |
|
75735 ↗ |
CC[C@H](C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@H](C)O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
400.00 | Ki | CHEMBL224644 | ChEMBL ↗ |
|
75742 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H](C)O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
220.00 | Ki | CHEMBL2369717 | ChEMBL ↗ |
|
75763 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
420.00 | Ki | CHEMBL267183 | ChEMBL ↗ |
|
75764 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
530.00 | Ki | CHEMBL267184 | ChEMBL ↗ |
|
75830 ↗ |
Cc1cc(SC2=C(O)OC(CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
530.00×10-3 | Ki | CHEMBL287361 | ChEMBL ↗ |
|
75974 ↗ |
CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.20×103 | Ki | CHEMBL314324 | ChEMBL ↗ |
|
76167 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.80 | Ki | CHEMBL3350189 | ChEMBL ↗ |
|
76187 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
12.00 | Ki | CHEMBL3350218 | ChEMBL ↗ |
|
76292 ↗ |
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
5.00×10-3 | Ki | CHEMBL359756 | ChEMBL ↗ |
|
76294 ↗ |
CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
199.00×103 | Ki | CHEMBL360848 | ChEMBL ↗ |
|
76296 ↗ |
CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C(=O)O)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
4.90×103 | Ki | CHEMBL364211 | ChEMBL ↗ |
|
76309 ↗ |
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
62.50 | Ki | CHEMBL371457 | ChEMBL ↗ |
|
76312 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)nc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
130.00 | Ki | CHEMBL375050 | ChEMBL ↗ |
|
76313 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
230.00 | Ki | CHEMBL375250 | ChEMBL ↗ |
|
76315 ↗ |
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)[C@@H](C)O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.50×103 | Ki | CHEMBL375566 | ChEMBL ↗ |
|
76318 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
410.00 | Ki | CHEMBL376190 | ChEMBL ↗ |
|
76319 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
900.00 | Ki | CHEMBL376450 | ChEMBL ↗ |
|
76321 ↗ |
COC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2n1)[C@@H](C)O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
80.00 | Ki | CHEMBL376817 | ChEMBL ↗ |
|
76328 ↗ |
COc1cc(Br)c(C(=O)N[C@@H](Cc2cccc(Br)c2)[C@H](O)C[C@H](CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1OC
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.10×103 | Ki | CHEMBL382513 | ChEMBL ↗ |
|
76329 ↗ |
Cc1cc(SC2=C(O)OC(CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1N
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
670.00×10-3 | Ki | CHEMBL38268 | ChEMBL ↗ |
|
76331 ↗ |
CNc1ccc(S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc2cccc(Br)c2)NC(=O)COc2c(C)cccc2C)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
370.00 | Ki | CHEMBL382924 | ChEMBL ↗ |
|
76332 ↗ |
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(N(C)C)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
540.00 | Ki | CHEMBL383583 | ChEMBL ↗ |
|
76338 ↗ |
CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
222.00×103 | Ki | CHEMBL386539 | ChEMBL ↗ |
|
76340 ↗ |
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1)C(=O)N[C@H](C(N)=O)[C@@H](C)O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.30×103 | Ki | CHEMBL388957 | ChEMBL ↗ |
|
76346 ↗ |
CCC(C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
209.00×103 | Ki | CHEMBL407688 | ChEMBL ↗ |
|
76349 ↗ |
COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
560.00 | Ki | CHEMBL412382 | ChEMBL ↗ |
|
76428 ↗ |
O=C(COc1ccc(Cl)cc1Cl)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
7.00×103 | Ki | CHEMBL436088 | ChEMBL ↗ |
|
76435 ↗ |
CC(C)(C)NC(=O)c1c(CCC(O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.40×103 | Ki | CHEMBL440322 | ChEMBL ↗ |
|
76444 ↗ |
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.00×103 | Ki | CHEMBL449777 | ChEMBL ↗ |
|
76883 ↗ |
CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
33.00 | Ki | CHEMBL100944 | ChEMBL ↗ |
|
76884 ↗ |
CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.83 | Ki | CHEMBL102228 | ChEMBL ↗ |
|
76885 ↗ |
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
34.00 | Ki | CHEMBL102328 | ChEMBL ↗ |
|
76886 ↗ |
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
215.00 | Ki | CHEMBL102428 | ChEMBL ↗ |
|
76887 ↗ |
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccc2ccccc12)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
26.00 | Ki | CHEMBL102431 | ChEMBL ↗ |
|
76888 ↗ |
CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.98 | Ki | CHEMBL103927 | ChEMBL ↗ |
|
76889 ↗ |
CC(=O)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
370.00 | Ki | CHEMBL104285 | ChEMBL ↗ |
|
76890 ↗ |
CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
1.98 | Ki | CHEMBL104324 | ChEMBL ↗ |
|
76891 ↗ |
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)cc2)C(C)(C)C)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
13.00 | Ki | CHEMBL104326 | ChEMBL ↗ |
|
76892 ↗ |
CC(C)C[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
44.00 | Ki | CHEMBL104398 | ChEMBL ↗ |
|
76893 ↗ |
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
200.00 | Ki | CHEMBL104488 | ChEMBL ↗ |
|
76894 ↗ |
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
17.00 | Ki | CHEMBL104512 | ChEMBL ↗ |