molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4211949 |
|
IC50 |
= |
0.2 |
nM |
423.48 |
C=CC(=O)N[C@@H]1Cn2c(c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1=C |
Homo sapiens |
CHEMBL4189690 |
single protein format |
CHEMBL3647967 |
OBDepict
CH
2
HN
O
H
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
0.2 |
nM |
454.53 |
C=CC(=O)N[C@H]1CC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 |
Homo sapiens |
CHEMBL3887537 |
single protein format |
CHEMBL1873475 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
O
|
IC50 |
= |
0.5 |
nM |
440.51 |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL2060515 |
single protein format |
CHEMBL4464404 |
OBDepict
CH
2
NH
O
O
N
N
H
N
N
H
N
N
O
|
IC50 |
= |
0.7 |
nM |
533.59 |
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4ccncc4)c23)c1 |
Homo sapiens |
CHEMBL4349143 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
1.07 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328317 |
single protein format |
CHEMBL3290142 |
OBDepict
CH
2
N
H
O
N
H
N
N
HN
O
CH
3
NH
O
F
F
F
|
IC50 |
= |
2.7 |
nM |
560.54 |
C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1 |
Homo sapiens |
CHEMBL3292438 |
single protein format |
CHEMBL3928976 |
OBDepict
Cl
O
NH
2
N
CH
3
H
N
O
O
N
OH
H
3
C
H
3
C
Cl
|
IC50 |
= |
5.0 |
nM |
587.46 |
Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O |
Homo sapiens |
CHEMBL4672809 |
single protein format |
CHEMBL3975634 |
OBDepict
CH
3
O
H
O
N
H
N
H
H
3
C
N
N
HO
|
IC50 |
= |
7.4 |
nM |
452.51 |
CN[C@H]1CC2OC([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)=NC4 |
Homo sapiens |
CHEMBL3707538 |
single protein format |
CHEMBL4068839 |
OBDepict
CH
2
N
O
H
N
N
N
N
H
2
N
Cl
O
N
|
IC50 |
= |
8.1 |
nM |
489.97 |
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4050457 |
assay format |
CHEMBL4106978 |
OBDepict
O
N
H
H
N
N
N
H
2
N
HN
O
N
F
F
F
|
IC50 |
= |
8.3 |
nM |
535.53 |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 |
Homo sapiens |
CHEMBL4727418 |
single protein format |
CHEMBL4755977 |
OBDepict
CH
3
O
NH
N
O
O
N
NH
O
O
N
|
IC50 |
= |
8.3 |
nM |
551.6 |
COc1cc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2cc1NC(=O)C#CCCN1CCOCC1 |
Homo sapiens |
CHEMBL4726209 |
assay format |
CHEMBL4076024 |
OBDepict
CH
3
O
N
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
9.0 |
nM |
571.54 |
COCC(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL4525187 |
OBDepict
H
2
N
N
N
N
H
N
O
H
O
|
IC50 |
= |
10.0 |
nM |
441.54 |
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C[C@H]1CCCN1C[C@@H]1CO1 |
Homo sapiens |
CHEMBL4347059 |
single protein format |
CHEMBL4798527 |
OBDepict
H
3
C
N
H
N
O
N
NH
2
N
N
H
CH
3
F
F
F
H
HO
|
IC50 |
= |
16.0 |
nM |
548.57 |
Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |
Homo sapiens |
CHEMBL4766148 |
single protein format |
CHEMBL1916891 |
OBDepict
CH
3
N
H
3
C
N
O
CH
3
F
N
N
N
N
H
CH
3
|
IC50 |
= |
16.0 |
nM |
432.5 |
Cc1ccccc1Nc1nc2cc(F)c(N(C)C(=O)/C=C/CN(C)C)cc2n2cncc12 |
Homo sapiens |
CHEMBL1919249 |
single protein format |
CHEMBL4108687 |
OBDepict
O
O
N
H
3
C
CH
3
H
H
N
N
N
H
2
N
N
H
O
N
F
F
F
|
IC50 |
= |
17.0 |
nM |
565.56 |
CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 |
Homo sapiens |
CHEMBL4727418 |
single protein format |
CHEMBL3426225 |
OBDepict
H
3
C
N
N
N
N
NH
2
CH
3
N
H
O
F
F
F
N
N
CH
3
|
IC50 |
= |
19.0 |
nM |
576.63 |
CCn1nc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL3429871 |
single protein format |
CHEMBL3918580 |
OBDepict
CH
3
N
N
O
N
H
O
NH
2
OH
H
3
C
H
3
C
|
IC50 |
= |
20.0 |
nM |
502.57 |
Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1cnc2ccccc2c1=O |
Homo sapiens |
CHEMBL4429380 |
assay format |
CHEMBL4103954 |
OBDepict
O
N
H
CH
3
H
N
N
N
H
2
N
F
HN
O
N
F
F
F
|
IC50 |
= |
20.0 |
nM |
581.57 |
C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)C1CC1 |
Homo sapiens |
CHEMBL4717037 |
single protein format |
CHEMBL4752700 |
OBDepict
CH
2
HN
O
N
O
HN
O
N
CH
3
|
IC50 |
= |
21.2 |
nM |
438.49 |
C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1 |
Homo sapiens |
CHEMBL4726209 |
assay format |
CHEMBL4749037 |
OBDepict
O
O
N
H
H
N
N
N
H
2
N
HN
O
N
F
F
F
|
IC50 |
= |
22.0 |
nM |
537.5 |
Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 |
Homo sapiens |
CHEMBL4727418 |
single protein format |
CHEMBL4204801 |
OBDepict
N
O
H
2
N
N
N
H
|
IC50 |
= |
22.0 |
nM |
288.31 |
N#C/C(=Cc1cccc(-c2cccc3[nH]ncc23)c1)C(N)=O |
Homo sapiens |
CHEMBL4179017 |
single protein format |
CHEMBL3900554 |
OBDepict
F
O
NH
2
N
CH
3
H
N
H
O
O
N
OH
CH
3
H
3
C
H
3
C
F
|
IC50 |
= |
23.0 |
nM |
572.61 |
Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O |
Homo sapiens |
CHEMBL3858961 |
single protein format |
CHEMBL4077588 |
OBDepict
F
N
HN
O
N
H
2
N
N
N
H
N
F
F
F
O
|
IC50 |
= |
29.0 |
nM |
583.59 |
Nc1nccn2c([C@@H]3CCCN(C4CCOCC4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL4075449 |
OBDepict
CH
2
HN
O
H
3
C
N
O
N
N
N
H
|
IC50 |
= |
30.2 |
nM |
421.46 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL3415599 |
OBDepict
CH
3
O
N
NH
H
3
C
N
N
H
O
NH
2
H
S
H
NH
2
O
O
|
IC50 |
= |
32.0 |
nM |
420.5 |
COc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1 |
Homo sapiens |
CHEMBL3420426 |
single protein format |
CHEMBL3586447 |
OBDepict
CH
3
N
N
N
H
N
NH
2
O
NH
2
|
IC50 |
= |
36.0 |
nM |
318.34 |
Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(C(N)=O)nnc12 |
Homo sapiens |
CHEMBL3588275 |
single protein format |
CHEMBL4799627 |
OBDepict
O
N
CH
3
O
H
N
N
N
NH
2
F
N
H
O
N
F
F
F
|
IC50 |
= |
42.0 |
nM |
597.57 |
CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)C2)COC1 |
Homo sapiens |
CHEMBL4717037 |
single protein format |
CHEMBL47203 |
OBDepict
H
3
C
N
N
H
H
N
N
N
NH
2
O
|
IC50 |
= |
46.0 |
nM |
482.63 |
CN1CCN([C@H]2CC[C@@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 |
Homo sapiens |
CHEMBL883279 |
single protein format |
CHEMBL4060757 |
OBDepict
F
N
NH
O
N
NH
2
N
N
H
O
N
F
F
F
O
|
IC50 |
= |
50.0 |
nM |
585.56 |
Nc1nccn2c([C@H]3CN(C4CCOCC4)CCO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL31965 |
OBDepict
H
2
C
NH
O
O
N
N
H
N
N
Cl
F
O
|
IC50 |
= |
50.0 |
nM |
485.95 |
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 |
Homo sapiens |
CHEMBL1026510 |
single protein format |
CHEMBL4069387 |
OBDepict
O
N
CH
3
H
3
C
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
53.0 |
nM |
569.56 |
CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL4862806 |
OBDepict
CH
3
N
N
N
H
2
N
CH
3
NH
O
F
F
F
F
F
F
|
IC50 |
= |
56.0 |
nM |
543.47 |
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N |
Homo sapiens |
CHEMBL4839597 |
single protein format |
CHEMBL1835063 |
OBDepict
NH
2
O
N
NH
N
N
H
H
2
N
F
F
F
|
IC50 |
= |
57.0 |
nM |
380.37 |
NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL4629884 |
single protein format |
CHEMBL4782725 |
OBDepict
CH
3
NH
O
O
O
N
N
O
N
H
O
N
|
IC50 |
= |
72.0 |
nM |
551.6 |
CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1 |
Homo sapiens |
CHEMBL4726209 |
assay format |
CHEMBL4095253 |
OBDepict
CH
2
S
N
O
O
H
N
N
N
H
2
N
O
O
|
IC50 |
= |
76.4 |
nM |
427.49 |
C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4058129 |
single protein format |
CHEMBL4062498 |
OBDepict
CH
3
O
N
O
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
78.0 |
nM |
573.51 |
COCC(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL4068097 |
OBDepict
H
2
C
N
O
N
O
N
S
HN
O
O
CH
3
CH
3
CH
3
|
IC50 |
= |
83.6 |
nM |
578.69 |
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(S(=O)(=O)NC(C)(C)C)cc6)cc5c43)cc21 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4094125 |
OBDepict
O
N
CH
3
O
H
N
N
N
NH
2
N
H
O
N
F
F
F
|
IC50 |
= |
84.0 |
nM |
579.58 |
CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)C2)COC1 |
Homo sapiens |
CHEMBL4717037 |
single protein format |
CHEMBL4114929 |
OBDepict
CH
3
O
N
N
H
O
N
H
2
N
N
N
H
N
F
F
F
H
O
|
IC50 |
= |
101.0 |
nM |
565.56 |
COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 |
Homo sapiens |
CHEMBL4727418 |
single protein format |
CHEMBL4281823 |
OBDepict
CH
3
N
N
N
NH
2
N
O
O
F
F
F
|
IC50 |
= |
138.0 |
nM |
481.48 |
CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4261437 |
single protein format |
CHEMBL169390 |
OBDepict
HO
N
H
2
N
N
N
|
IC50 |
= |
140.0 |
nM |
294.36 |
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1 |
Homo sapiens |
CHEMBL4834264 |
cell-based format |
CHEMBL3601223 |
OBDepict
CH
2
NH
O
N
H
N
Cl
N
NH
O
H
3
C
N
N
H
3
C
|
IC50 |
= |
157.0 |
nM |
508.03 |
C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 |
Homo sapiens |
CHEMBL3603312 |
single protein format |
CHEMBL4163217 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
O
O
|
IC50 |
= |
160.0 |
nM |
489.53 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc6c(c5)OCCO6)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4864983 |
OBDepict
CH
2
N
O
H
N
N
NH
2
O
H
2
N
N
H
O
N
F
F
F
|
IC50 |
= |
169.9 |
nM |
527.51 |
C=CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(C(N)=O)n1N |
Homo sapiens |
CHEMBL4841680 |
single protein format |
CHEMBL4452230 |
OBDepict
OH
N
N
NH
2
N
N
Cl
|
Ki |
= |
170.0 |
nM |
379.85 |
Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2CC(Cl)c1ccccc1 |
Homo sapiens |
CHEMBL4362319 |
single protein format |
CHEMBL4077107 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
N
NH
2
|
IC50 |
= |
177.0 |
nM |
447.5 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL3578214 |
OBDepict
Cl
N
N
NH
2
N
N
Cl
|
Ki |
= |
190.0 |
nM |
384.27 |
Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CC(Cl)c1ccccc1 |
Homo sapiens |
CHEMBL4362319 |
single protein format |
CHEMBL4171756 |
OBDepict
H
2
C
N
O
N
O
N
N
|
IC50 |
= |
191.0 |
nM |
494.55 |
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc21 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4443805 |
OBDepict
CH
2
N
O
O
N
N
H
N
N
N
H
N
HN
CH
3
N
O
|
IC50 |
= |
198.0 |
nM |
555.64 |
C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCOCC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)CC1 |
Homo sapiens |
CHEMBL4349199 |
assay format |
CHEMBL4634073 |
OBDepict
CH
3
O
N
H
O
O
N
NH
2
N
N
N
H
3
C
O
O
H
3
C
H
3
C
|
IC50 |
= |
230.0 |
nM |
532.6 |
COC(=O)Nc1ccc(-c2c(OC3CCN(C)CC3)nc3c(-c4ccc(OC)c(OC)c4)cnn3c2N)cc1 |
Homo sapiens |
CHEMBL4605794 |
cell-based format |
CHEMBL4160923 |
OBDepict
CH
2
N
O
N
O
N
N
N
H
|
IC50 |
= |
246.0 |
nM |
433.47 |
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc21 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4162994 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
|
IC50 |
= |
250.0 |
nM |
431.5 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccccc5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4075954 |
OBDepict
O
N
CH
3
H
3
C
O
H
N
N
N
H
2
N
F
N
H
O
N
F
F
F
|
IC50 |
= |
280.0 |
nM |
571.54 |
CC(C)C(=O)N1CCO[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)C1 |
Homo sapiens |
CHEMBL4057950 |
single protein format |
CHEMBL4161110 |
OBDepict
CH
2
HN
O
N
O
N
N
N
H
|
IC50 |
= |
293.0 |
nM |
407.43 |
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)c1 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4071759 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
N
|
IC50 |
= |
295.0 |
nM |
482.54 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4161149 |
OBDepict
CH
2
N
O
N
O
N
N
NH
2
|
IC50 |
= |
300.0 |
nM |
459.51 |
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(N)nc6)cc5c43)cc21 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4107779 |
OBDepict
O
N
H
H
N
N
N
H
2
N
O
N
H
O
N
F
F
F
|
IC50 |
= |
309.0 |
nM |
591.59 |
Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3OC3CC3)c12 |
Homo sapiens |
CHEMBL4727418 |
single protein format |
CHEMBL1090360 |
OBDepict
O
N
H
N
N
S
N
N
HN
N
O
|
IC50 |
= |
320.0 |
nM |
587.71 |
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1 |
Homo sapiens |
CHEMBL1109654 |
single protein format |
CHEMBL4166849 |
OBDepict
H
2
C
NH
O
N
O
N
N
H
2
N
|
IC50 |
= |
336.0 |
nM |
433.47 |
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(N)nc5)cc4c32)c1 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4098453 |
OBDepict
CH
2
HN
O
H
3
C
N
O
N
N
N
H
3
C
|
IC50 |
= |
339.0 |
nM |
435.49 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4173695 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
S
|
IC50 |
= |
342.0 |
nM |
437.52 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccsc5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4077064 |
OBDepict
CH
2
N
O
N
O
N
N
N
CH
3
|
IC50 |
= |
366.0 |
nM |
447.5 |
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21 |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL45177 |
OBDepict
H
3
C
N
N
H
H
N
N
N
NH
2
O
|
IC50 |
= |
370.0 |
nM |
482.63 |
CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 |
Homo sapiens |
CHEMBL883279 |
single protein format |
CHEMBL4068509 |
OBDepict
CH
2
N
O
N
N
N
O
HN
N
CH
3
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
371.0 |
nM |
561.47 |
C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1 |
Homo sapiens |
CHEMBL4013841 |
single protein format |
CHEMBL4091991 |
OBDepict
CH
2
N
H
O
H
3
C
N
O
N
N
H
S
O
O
CH
3
|
IC50 |
= |
377.0 |
nM |
524.6 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL4755698 |
OBDepict
H
2
C
N
O
N
N
N
H
2
N
O
O
|
IC50 |
= |
503.7 |
nM |
405.46 |
C=CC(=O)N1CCC(Cn2cc(-c3ccc4c(c3)OCO4)c3c(N)ncnc32)CC1 |
Homo sapiens |
CHEMBL4720221 |
single protein format |
CHEMBL460472 |
OBDepict
CH
3
O
N
O
N
N
H
O
CH
3
N
O
N
OH
CH
3
H
3
C
|
IC50 |
= |
519.0 |
nM |
539.59 |
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 |
Homo sapiens |
CHEMBL985573 |
single protein format |
CHEMBL4640601 |
OBDepict
H
3
C
O
O
H
3
C
N
N
N
O
NH
2
N
H
3
C
|
IC50 |
= |
520.0 |
nM |
459.55 |
COc1ccc(-c2cnn3c(N)c(-c4ccccc4)c(OC4CCN(C)CC4)nc23)cc1OC |
Homo sapiens |
CHEMBL4605794 |
cell-based format |
CHEMBL4858720 |
OBDepict
HO
H
H
N
N
N
NH
2
HO
|
IC50 |
= |
570.0 |
nM |
310.36 |
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CO)C1 |
Homo sapiens |
CHEMBL4834264 |
cell-based format |
CHEMBL4791249 |
OBDepict
CH
2
N
H
O
N
H
N
N
N
N
H
N
O
|
IC50 |
= |
594.0 |
nM |
443.51 |
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)N4CCCCC4)cc3)n2)c1 |
Homo sapiens |
CHEMBL4769970 |
single protein format |
CHEMBL4170077 |
OBDepict
H
2
C
NH
O
CH
3
N
O
N
|
IC50 |
= |
607.0 |
nM |
457.53 |
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(/C=C/c5ccccc5)cc4c32)ccc1C |
Homo sapiens |
CHEMBL4130922 |
assay format |
CHEMBL2380834 |
OBDepict
F
F
F
F
N
H
O
NH
N
N
H
O
|
IC50 |
= |
959.0 |
nM |
492.43 |
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1C(F)(F)F |
Homo sapiens |
CHEMBL2384608 |
single protein format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
< |
1000.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL4602911 |
single protein format |