CHEMBL3105 IC50
BioactivityChEMBL CHEMBL3105 IC50 bioactivity data
1662 compounds · Target: Poly [ADP-ribose] polymerase 1 ( CHEMBL3105 ↗ ) · UniProt: P09874 ↗ · IC50
Poly [ADP-ribose] polymerase 1, a molecular target studied in Homo sapiens.
| ID ↑ | SMILES | Target | Activity (nM) | Type | Ref | Link | |
|---|---|---|---|---|---|---|---|
|
3867 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(CC(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
498.00 | IC50 | CHEMBL5071405 | ChEMBL ↗ |
|
3876 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
150.00 | IC50 | CHEMBL5076077 | ChEMBL ↗ |
|
3896 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(N(C)c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
13.00 | IC50 | CHEMBL5084388 | ChEMBL ↗ |
|
3902 ↗ |
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
127.00 | IC50 | CHEMBL5085356 | ChEMBL ↗ |
|
3907 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
355.00 | IC50 | CHEMBL5085883 | ChEMBL ↗ |
|
3910 ↗ |
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1N(C)c1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
25.00 | IC50 | CHEMBL5086559 | ChEMBL ↗ |
|
3940 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
43.00 | IC50 | CHEMBL5092812 | ChEMBL ↗ |
|
3947 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
155.00 | IC50 | CHEMBL5094534 | ChEMBL ↗ |
|
3948 ↗ |
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
341.00 | IC50 | CHEMBL5094572 | ChEMBL ↗ |
|
3951 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(C)(C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
62.00 | IC50 | CHEMBL5169667 | ChEMBL ↗ |
|
3979 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NCc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
73.00 | IC50 | CHEMBL5174687 | ChEMBL ↗ |
|
3983 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
52.00 | IC50 | CHEMBL5175745 | ChEMBL ↗ |
|
4006 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
187.00 | IC50 | CHEMBL5181517 | ChEMBL ↗ |
|
4050 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
49.00 | IC50 | CHEMBL5189535 | ChEMBL ↗ |
|
4061 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
361.00 | IC50 | CHEMBL5193162 | ChEMBL ↗ |
|
4077 ↗ |
COc1cc(OC)c2c(=O)[nH]c(-c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)nc2c1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
197.00 | IC50 | CHEMBL5197463 | ChEMBL ↗ |
|
4083 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
112.00 | IC50 | CHEMBL5200443 | ChEMBL ↗ |
|
4090 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
116.00 | IC50 | CHEMBL5202850 | ChEMBL ↗ |
|
4105 ↗ |
COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCOc4ccccc4C(N)=O)cc3)nc2c1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
4.60×103 | IC50 | CHEMBL5205994 | ChEMBL ↗ |
|
4113 ↗ |
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(c1nc3c(C(N)=O)cccc3[nH]1)C(C)C)C(=O)N2
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
326.00 | IC50 | CHEMBL5207585 | ChEMBL ↗ |
|
4123 ↗ |
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCOc4ccccc4C(N)=O)c(C)c3)nc2c1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
4.60 | IC50 | CHEMBL5209870 | ChEMBL ↗ |
|
7819 ↗ |
NC(=O)c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
68.90 | IC50 | CHEMBL5177616 | ChEMBL ↗ |
|
7903 ↗ |
NC(=O)/C=C/c1ccc(COc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)cc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
227.00 | IC50 | CHEMBL5208297 | ChEMBL ↗ |
|
8081 ↗ |
O=C(O)CCc1nc(O)c2ccccc2n1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
6.65×103 | IC50 | CHEMBL1892587 | ChEMBL ↗ |
|
8789 ↗ |
O=C(Cc1ccc(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1)NO
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
20.43 | IC50 | CHEMBL4075511 | ChEMBL ↗ |
|
8795 ↗ |
O=C(/C=C/c1ccc(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1)NO
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
15.04 | IC50 | CHEMBL4078014 | ChEMBL ↗ |
|
8841 ↗ |
O=C(/C=C/c1ccc(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)cc1)NO
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
68.15 | IC50 | CHEMBL4096060 | ChEMBL ↗ |
|
8846 ↗ |
O=C(NO)c1ccc(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
6.16 | IC50 | CHEMBL4097093 | ChEMBL ↗ |
|
10037 ↗ |
O=C(/C=C/c1ccc(CCCCCCc2n[nH]c(=O)c3cc(F)ccc23)cc1)NO
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
7.00 | IC50 | CHEMBL5179574 | ChEMBL ↗ |
|
11386 ↗ |
O=c1[nH]nc(Cc2ccccc2)c2ccccc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
770.00 | IC50 | CHEMBL66761 | ChEMBL ↗ |
|
14754 ↗ |
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
100.00×103 | IC50 | CHEMBL28 | ChEMBL ↗ |
|
17678 ↗ |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
4.23×103 | IC50 | CHEMBL151 | ChEMBL ↗ |
|
19946 ↗ |
O=c1cc(-c2ccccc2)oc2ccccc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
1.39×103 | IC50 | CHEMBL275638 | ChEMBL ↗ |
|
24186 ↗ |
Cc1ccc(-c2cc(=O)c3ccccc3o2)cc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
16.22×103 | IC50 | CHEMBL16861 | ChEMBL ↗ |
|
30214 ↗ |
COc1ccc(C(N)=O)cc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
57.00×103 | IC50 | CHEMBL449635 | ChEMBL ↗ |
|
71176 ↗ |
NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CNCC4)cnn12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
14.20 | IC50 | CHEMBL4744702 | ChEMBL ↗ |
|
71273 ↗ |
NC(=O)c1cc(Cl)c2cc(-c3cc4c(s3)CCNC4)cnn12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
7.24 | IC50 | CHEMBL4758651 | ChEMBL ↗ |
|
71285 ↗ |
NC(=O)c1cccc2cc(C(=O)N3CCN(c4nc(-c5cnc(NC(=O)CN6CCOCC6)cc5C(F)(F)F)nc(N5CCOCC5)n4)CC3)oc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
13.80 | IC50 | CHEMBL4761383 | ChEMBL ↗ |
|
72339 ↗ |
O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
27.00×103 | IC50 | CHEMBL1233300 | ChEMBL ↗ |
|
114337 ↗ |
Cc1c(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
1.50 | IC50 | CHEMBL4858564 | ChEMBL ↗ |
|
114362 ↗ |
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
910.00×10-3 | IC50 | CHEMBL4865059 | ChEMBL ↗ |
|
114369 ↗ |
NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5o4)CC3)oc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
2.97 | IC50 | CHEMBL4868231 | ChEMBL ↗ |
|
114378 ↗ |
NC(=O)c1cccc2cc(C(=O)N3CCN(Cc4cc5nc(-c6cnc(N)nc6)nc(N6CCOCC6)c5s4)CC3)oc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
1.98 | IC50 | CHEMBL4871210 | ChEMBL ↗ |
|
117431 ↗ |
O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
144.77 | IC50 | CHEMBL4089840 | ChEMBL ↗ |
|
119532 ↗ |
Nc1cnc2c(c1)[nH]c(=O)c1ccccc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
180.00 | IC50 | CHEMBL106154 | ChEMBL ↗ |
|
119533 ↗ |
NC(=O)c1cccn2nc(-c3ccccc3)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
270.00 | IC50 | CHEMBL1094313 | ChEMBL ↗ |
|
119534 ↗ |
NC(=O)c1cccc2cn(-c3ccc(CN4CCOCC4)cc3)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
17.00 | IC50 | CHEMBL1094631 | ChEMBL ↗ |
|
119535 ↗ |
CN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
31.00 | IC50 | CHEMBL1094632 | ChEMBL ↗ |
|
119536 ↗ |
NC(=O)c1cccc2cn(Cc3ccccc3)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
130.00 | IC50 | CHEMBL1094951 | ChEMBL ↗ |
|
119537 ↗ |
NC(=O)c1cccc2cn(-c3ccccc3Cl)nc12
|
CHEMBL3105 ↗
UniProt: P09874 ↗ |
100.00 | IC50 | CHEMBL1094952 | ChEMBL ↗ |