CHEMBL243 IC50
BioactivityChEMBL CHEMBL243 IC50 bioactivity data
1594 compounds · Target: Human immunodeficiency virus type 1 protease ( CHEMBL243 ↗ ) · UniProt: Q72874 ↗ · IC50
Human immunodeficiency virus type 1 protease, a molecular target studied in Human immunodeficiency virus 1.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
55386 ↗ |
CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
140.00 | IC50 | CHEMBL3350613 | ChEMBL ↗ |
|
72246 ↗ |
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
25.00 | IC50 | CHEMBL729 | ChEMBL ↗ |
|
75291 ↗ |
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
500.00×10-3 | IC50 | CHEMBL100089 | ChEMBL ↗ |
|
75292 ↗ |
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(O)CO
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
50.00×10-3 | IC50 | CHEMBL100310 | ChEMBL ↗ |
|
75293 ↗ |
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)OC1CCCC1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
330.00×10-3 | IC50 | CHEMBL101560 | ChEMBL ↗ |
|
75294 ↗ |
COc1cc(CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2cc(OC)c(OC)c(OC)c2)C(C)C)C(C)C)cc(OC)c1OC
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.40 | IC50 | CHEMBL101962 | ChEMBL ↗ |
|
75295 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
900.00×10-3 | IC50 | CHEMBL102664 | ChEMBL ↗ |
|
75296 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2OC[C@H]1O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
179.90×10-3 | IC50 | CHEMBL103213 | ChEMBL ↗ |
|
75297 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2[C@@H](O)[C@H]1O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
100.00×10-3 | IC50 | CHEMBL103400 | ChEMBL ↗ |
|
75298 ↗ |
CC(C)[C@H](NC(=O)CC1NC(=O)NC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CC1NC(=O)NC1=O)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
9.60 | IC50 | CHEMBL103783 | ChEMBL ↗ |
|
75299 ↗ |
Cc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
289.70×10-3 | IC50 | CHEMBL103821 | ChEMBL ↗ |
|
75300 ↗ |
CCNC(=O)[C@@H](NC(=O)CCc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)CCc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.40 | IC50 | CHEMBL104118 | ChEMBL ↗ |
|
75301 ↗ |
CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(O)=C(CCc2ccccc2)C1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.00×103 | IC50 | CHEMBL104253 | ChEMBL ↗ |
|
75302 ↗ |
CC(C)(C)NC(=O)C1(C)OC(O)=C(CCc2ccccc2)C1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
70.00×103 | IC50 | CHEMBL104340 | ChEMBL ↗ |
|
75303 ↗ |
CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(O)=C(Cc2ccccc2)C1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
11.00×103 | IC50 | CHEMBL104360 | ChEMBL ↗ |
|
75304 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(N)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
82.00 | IC50 | CHEMBL104375 | ChEMBL ↗ |
|
75305 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)NC1C(=O)NCCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
540.00 | IC50 | CHEMBL104509 | ChEMBL ↗ |
|
75306 ↗ |
COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)OC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
60.00 | IC50 | CHEMBL104525 | ChEMBL ↗ |
|
75307 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)Nc1nc2ccccc2[nH]1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.80 | IC50 | CHEMBL104576 | ChEMBL ↗ |
|
75308 ↗ |
CCNC(=O)[C@@H](NC(=O)CC(C)C)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)CC(C)C)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
8.70 | IC50 | CHEMBL104683 | ChEMBL ↗ |
|
75309 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)c2ccccc2C[C@H]1O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
212.37 | IC50 | CHEMBL105299 | ChEMBL ↗ |
|
75310 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CSc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
250.00×10-3 | IC50 | CHEMBL105319 | ChEMBL ↗ |
|
75311 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(N)=O)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
3.00 | IC50 | CHEMBL105695 | ChEMBL ↗ |
|
75312 ↗ |
CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
4.80 | IC50 | CHEMBL105851 | ChEMBL ↗ |
|
75313 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccn2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccn2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
11.00 | IC50 | CHEMBL105879 | ChEMBL ↗ |
|
75314 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccn2)C(=O)NCc2ccc(Cl)cc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccn2)C(=O)NCc2ccc(Cl)cc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
7.50 | IC50 | CHEMBL105880 | ChEMBL ↗ |
|
75315 ↗ |
CC(C)(C)OC(=O)CN(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
4.68×103 | IC50 | CHEMBL106005 | ChEMBL ↗ |
|
75316 ↗ |
CCNC(=O)[C@@H](NC(=O)c1ccccc1Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)c3ccccc3Cc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
72.00 | IC50 | CHEMBL106282 | ChEMBL ↗ |
|
75317 ↗ |
CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccn1)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
4.80 | IC50 | CHEMBL106486 | ChEMBL ↗ |
|
75318 ↗ |
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)Nc1ccc2ccccc2n1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
52.48 | IC50 | CHEMBL106530 | ChEMBL ↗ |
|
75319 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OCc2ccccc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)OCc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
75.00 | IC50 | CHEMBL106623 | ChEMBL ↗ |
|
75320 ↗ |
CCNC(=O)[C@@H](NC(=O)/C=C\c1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)/C=C\c3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
2.90 | IC50 | CHEMBL106633 | ChEMBL ↗ |
|
75321 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
30.10×103 | IC50 | CHEMBL106657 | ChEMBL ↗ |
|
75322 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)N2CCCCC2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)N2CCCCC2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
6.90 | IC50 | CHEMBL106748 | ChEMBL ↗ |
|
75323 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
4.60 | IC50 | CHEMBL106765 | ChEMBL ↗ |
|
75324 ↗ |
CC(C)CNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
69.00 | IC50 | CHEMBL106805 | ChEMBL ↗ |
|
75325 ↗ |
CC(C)(C)NC(=O)C1(CCc2ccccc2)OC(O)=C(c2ccc(-c3ccccc3)cc2)C1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
27.00×103 | IC50 | CHEMBL106905 | ChEMBL ↗ |
|
75326 ↗ |
CCNC(=O)[C@@H](NC(=O)c1ccccc1Oc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)c3ccccc3Oc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
160.00 | IC50 | CHEMBL106965 | ChEMBL ↗ |
|
75327 ↗ |
CC(C)(C)OC(=O)CNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCC(=O)OC(C)(C)C)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
21.00 | IC50 | CHEMBL106991 | ChEMBL ↗ |
|
75328 ↗ |
CC1(C)S[C@H](CNC(=O)Cc2ccccc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H](CNC(=O)Cc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
7.80×103 | IC50 | CHEMBL107001 | ChEMBL ↗ |
|
75329 ↗ |
CCNC(=O)[C@@H](NS(=O)(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NS(=O)(=O)Cc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
58.00 | IC50 | CHEMBL107015 | ChEMBL ↗ |
|
75330 ↗ |
CNC(=O)C1(C)OC(O)=C(C(C)c2ccccc2)C1=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
244.00×103 | IC50 | CHEMBL107016 | ChEMBL ↗ |
|
75331 ↗ |
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSc1ccc2ccccc2n1)NS(C)(=O)=O
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
60.00 | IC50 | CHEMBL10725 | ChEMBL ↗ |
|
75332 ↗ |
CC1(C)S[C@H]([C@@H](CO)NC(=O)Cc2ccccc2)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@@H](CO)NC(=O)Cc2ccccc2)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
140.00 | IC50 | CHEMBL107250 | ChEMBL ↗ |
|
75333 ↗ |
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
588.84 | IC50 | CHEMBL107259 | ChEMBL ↗ |
|
75334 ↗ |
CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCC(=O)O)N[C@H]1C(=O)NCCNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCC(=O)O)SC1(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
39.00 | IC50 | CHEMBL107310 | ChEMBL ↗ |
|
75335 ↗ |
COC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
66.19 | IC50 | CHEMBL107369 | ChEMBL ↗ |
|
75336 ↗ |
CCNC(=O)[C@@H](NC(=O)Cc1cccs1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3cccs3)C(=O)NCC)SC2(C)C)C(C)(C)S1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
15.00 | IC50 | CHEMBL107393 | ChEMBL ↗ |
|
75337 ↗ |
CC(C1=C(O)C(C)(C(=O)NC(C)(C)C)OC1=O)c1ccccc1
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
105.00×103 | IC50 | CHEMBL107436 | ChEMBL ↗ |
|
75338 ↗ |
CCOC(=O)NC(C(=O)NN(CC1CCCCC1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OC)C(C)C)C(C)C
|
CHEMBL243 ↗
UniProt: Q72874 ↗ |
56.00 | IC50 | CHEMBL107559 | ChEMBL ↗ |