molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4858468 |
|
IC50 |
= |
0.1 |
nM |
552.61 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4871361 |
OBDepict
F
N
O
H
3
C
CH
3
N
H
O
F
F
N
H
NH
2
N
N
|
IC50 |
< |
0.2 |
nM |
518.5 |
CC(C)n1cc(C(=O)Nc2cc(F)c(-c3c[nH]c4ncnc(N)c34)cc2F)c(=O)c(-c2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4855261 |
OBDepict
Cl
N
O
N
H
O
O
N
CH
3
H
2
N
N
N
|
IC50 |
= |
0.2 |
nM |
569.07 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(Cl)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4860162 |
OBDepict
F
N
O
N
H
O
O
N
H
H
2
N
N
N
|
IC50 |
= |
0.2 |
nM |
538.58 |
Nc1ncnc2[nH]cc(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)c12 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4877502 |
OBDepict
F
N
O
N
H
O
O
F
N
CH
3
H
2
N
N
N
|
IC50 |
= |
0.2 |
nM |
570.6 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(F)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4869472 |
OBDepict
F
N
O
N
H
O
O
F
F
N
H
H
2
N
N
N
|
IC50 |
= |
0.4 |
nM |
574.56 |
Nc1ncnc2[nH]cc(-c3cc(F)c(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c12 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4875762 |
OBDepict
F
N
O
H
3
C
CH
3
N
H
O
N
H
3
C
NH
2
N
N
|
IC50 |
= |
0.4 |
nM |
496.55 |
CC(C)n1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4476226 |
OBDepict
H
3
C
N
O
N
N
H
N
N
N
F
F
F
N
S
H
3
C
O
O
H
3
C
|
IC50 |
< |
0.5 |
nM |
589.64 |
CC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(N4Cc5cccc(N(C)S(C)(=O)=O)c5C4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL4326591 |
cell-based format |
CHEMBL4845677 |
OBDepict
F
N
O
N
H
O
N
O
H
3
C
CH
3
N
H
3
C
NH
2
N
N
|
IC50 |
= |
0.5 |
nM |
539.57 |
CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4873311 |
OBDepict
F
N
O
N
H
O
O
F
F
N
CH
3
H
2
N
N
N
|
IC50 |
= |
0.5 |
nM |
588.59 |
Cn1cc(-c2cc(F)c(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4516515 |
OBDepict
H
3
C
N
N
H
N
N
HN
O
H
2
N
CH
3
O
|
IC50 |
= |
0.7 |
nM |
506.7 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CCC(CC)C2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL3301622 |
OBDepict
CH
3
O
N
N
H
N
N
N
HN
O
H
2
N
CH
3
N
H
3
C
O
|
IC50 |
= |
0.73 |
nM |
552.72 |
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4360650 |
assay format |
CHEMBL4277499 |
OBDepict
F
N
O
NH
O
F
O
N
N
N
H
|
IC50 |
= |
0.77 |
nM |
459.41 |
O=C(Nc1ccc(Oc2ccnc3[nH]cnc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4264825 |
assay format |
CHEMBL4866647 |
OBDepict
F
N
O
N
H
O
O
F
N
CH
3
H
2
N
N
N
|
IC50 |
= |
0.8 |
nM |
570.6 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4851553 |
OBDepict
F
F
N
O
N
H
O
O
N
H
3
C
NH
2
N
N
|
IC50 |
= |
0.8 |
nM |
570.6 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4F)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4871310 |
OBDepict
F
N
O
O
N
N
H
O
CH
3
H
3
C
F
O
N
N
N
H
3
C
|
IC50 |
= |
0.8 |
nM |
558.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4845957 |
OBDepict
O
N
H
N
N
O
NH
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
0.85 |
nM |
544.54 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL4873571 |
OBDepict
O
N
H
N
O
F
NH
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
0.9 |
nM |
561.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4445940 |
OBDepict
CH
3
N
S
O
O
H
3
C
N
N
N
N
H
F
F
F
N
O
|
IC50 |
= |
0.94 |
nM |
548.59 |
CN(c1cccc2c1CN(c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1C(F)(F)F)C2)S(C)(=O)=O |
Homo sapiens |
CHEMBL4326591 |
cell-based format |
CHEMBL4871620 |
OBDepict
O
N
H
N
O
O
N
H
3
C
NH
2
N
N
|
IC50 |
= |
1.0 |
nM |
534.62 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccccc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4062894 |
OBDepict
O
NH
N
N
H
S
N
N
H
N
H
N
S
O
O
CH
3
|
IC50 |
= |
1.0 |
nM |
515.67 |
CS(=O)(=O)N1CCC[C@H](c2csc(-c3cc(N4CCNCC4)ccc3NC(=O)c3ncc[nH]3)n2)C1 |
Homo sapiens |
CHEMBL4001907 |
single protein format |
CHEMBL4855494 |
OBDepict
F
N
O
N
H
O
O
N
CH
3
H
2
N
N
N
|
IC50 |
= |
1.1 |
nM |
538.58 |
Cn1cc(-c2ccc(NC(=O)c3cn(C4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL460702 |
OBDepict
CH
3
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
1.1 |
nM |
512.9 |
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL959563 |
single protein format |
CHEMBL4753082 |
OBDepict
H
3
C
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
1.1 |
nM |
498.87 |
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL4686591 |
single protein format |
CHEMBL4524568 |
OBDepict
CH
3
N
HN
N
O
NH
2
N
H
O
N
|
IC50 |
= |
1.2 |
nM |
478.64 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4865357 |
OBDepict
F
N
O
N
H
O
O
N
CH
3
H
2
N
N
N
|
IC50 |
= |
1.2 |
nM |
538.58 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCCO4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL2036807 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
NH
|
IC50 |
= |
1.4 |
nM |
524.72 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037931 |
single protein format |
CHEMBL4576727 |
OBDepict
CH
3
N
HN
N
O
NH
2
N
H
O
N
|
IC50 |
= |
1.6 |
nM |
478.64 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCC(N2CCCC2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4861161 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
F
O
N
HN
N
O
|
IC50 |
= |
1.7 |
nM |
590.59 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4090103 |
OBDepict
CH
3
N
H
3
C
O
HN
S
N
O
N
N
H
H
N
S
O
O
H
3
C
|
IC50 |
= |
1.8 |
nM |
518.67 |
CN(C)CCOc1ccc(NC(=O)c2ncc[nH]2)c(-c2nc([C@H]3CCCN(S(C)(=O)=O)C3)cs2)c1 |
Homo sapiens |
CHEMBL4001907 |
single protein format |
CHEMBL4864971 |
OBDepict
H
3
C
N
N
N
H
2
N
N
H
O
N
O
O
F
|
IC50 |
= |
1.8 |
nM |
580.66 |
CCCn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4858048 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
O
N
N
N
CH
3
|
IC50 |
= |
1.9 |
nM |
540.56 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL3545307 |
OBDepict
F
N
CH
3
O
N
H
O
F
O
N
N
N
N
H
3
C
H
|
IC50 |
= |
2.0 |
nM |
552.54 |
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3811325 |
cell-based format |
CHEMBL4105249 |
OBDepict
Cl
N
N
N
CH
3
S
N
NH
2
N
N
H
O
N
|
IC50 |
= |
2.0 |
nM |
470.99 |
Cc1csc2c(-n3nc(Nc4ccc(OCCN5CCCC5)cc4)nc3N)nc(Cl)nc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL4867664 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
O
N
N
N
H
N
O
|
IC50 |
= |
2.0 |
nM |
559.56 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL4849099 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
O
N
N
HN
N
O
|
IC50 |
= |
2.1 |
nM |
573.58 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CCCC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL4094158 |
OBDepict
O
NH
N
N
H
S
N
N
H
O
O
N
S
O
O
CH
3
|
IC50 |
= |
2.2 |
nM |
518.62 |
CS(=O)(=O)N1CCO[C@H](c2csc(-c3cc(N4CCOCC4)ccc3NC(=O)c3ncc[nH]3)n2)C1 |
Homo sapiens |
CHEMBL4001907 |
single protein format |
CHEMBL4849955 |
OBDepict
F
N
O
N
H
O
N
CH
3
H
2
N
N
N
|
IC50 |
= |
2.3 |
nM |
550.64 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCCCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4578043 |
OBDepict
H
3
C
N
NH
N
O
H
2
N
N
H
O
N
N
H
|
IC50 |
= |
2.5 |
nM |
519.69 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCC(N2CC4CNCC4C2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4878216 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
F
O
N
N
N
O
|
IC50 |
= |
2.7 |
nM |
588.57 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)C3CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4824951 |
single protein format |
CHEMBL4863290 |
OBDepict
F
N
O
O
N
N
H
O
CH
3
H
3
C
F
F
O
N
N
N
H
3
C
|
IC50 |
= |
2.75 |
nM |
576.54 |
CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4090562 |
OBDepict
Cl
N
N
N
N
NH
2
N
N
H
N
N
|
IC50 |
= |
3.0 |
nM |
516.05 |
Nc1nc(Nc2ccc(N3CCN(C4CC5CCC4C5)CC3)cc2)nn1-c1ncnc2ccc(Cl)cc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL2143592 |
OBDepict
H
N
NH
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
< |
3.0 |
nM |
468.85 |
Nc1nccc(Oc2ccc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)cc2F)c1Cl |
Homo sapiens |
CHEMBL3767452 |
single protein format |
CHEMBL4064955 |
OBDepict
F
N
N
N
N
NH
2
N
N
H
O
N
|
IC50 |
= |
3.0 |
nM |
434.48 |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(F)cc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL4087395 |
OBDepict
Cl
N
N
N
N
NH
2
N
N
H
O
N
|
IC50 |
= |
3.0 |
nM |
450.93 |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(Cl)cc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL4853092 |
OBDepict
F
N
O
N
H
O
O
N
CH
3
H
2
N
N
N
|
IC50 |
= |
3.0 |
nM |
552.61 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4cccc(F)c4)c3=O)cc2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4869458 |
OBDepict
F
N
O
O
N
N
H
O
CH
3
H
3
C
F
O
N
N
N
H
|
IC50 |
= |
3.1 |
nM |
544.52 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4066616 |
OBDepict
O
NH
N
N
H
S
N
N
H
O
N
S
O
O
CH
3
|
IC50 |
= |
3.4 |
nM |
516.65 |
CS(=O)(=O)N1CCC[C@H](c2csc(-c3cc(N4CCOCC4)ccc3NC(=O)c3ncc[nH]3)n2)C1 |
Homo sapiens |
CHEMBL4001907 |
single protein format |
CHEMBL4864028 |
OBDepict
HO
N
N
H
O
N
N
O
N
H
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
3.5 |
nM |
575.56 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)N4CC(O)C4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL2036805 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
N
NH
|
IC50 |
= |
3.7 |
nM |
525.71 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)nc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037931 |
single protein format |
CHEMBL4847126 |
OBDepict
F
N
O
N
H
O
O
Cl
N
CH
3
H
2
N
N
N
|
IC50 |
= |
3.7 |
nM |
587.06 |
Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(Cl)c2)c2c(N)ncnc21 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4864676 |
OBDepict
F
N
O
O
N
N
H
O
CH
3
H
3
C
F
F
O
N
N
N
H
3
C
|
IC50 |
= |
3.7 |
nM |
576.54 |
CC(C)n1cc(C(=O)Nc2cc(F)c(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4856684 |
OBDepict
F
N
O
N
H
O
O
CH
3
N
H
3
C
NH
2
N
N
|
IC50 |
= |
4.0 |
nM |
566.64 |
Cc1cc(-c2cn(C)c3ncnc(N)c23)ccc1NC(=O)c1cn(CC2CCOCC2)cc(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL2036806 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
H
H
2
N
NH
|
IC50 |
= |
4.0 |
nM |
462.65 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037931 |
single protein format |
CHEMBL4571241 |
OBDepict
CH
3
N
O
CH
3
H
3
C
NH
O
F
O
N
N
O
CH
3
O
H
3
C
|
IC50 |
= |
4.0 |
nM |
542.57 |
CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4cc(OC)c(OC)cc34)c(F)c1)c(C)n2C |
Homo sapiens |
CHEMBL4426892 |
single protein format |
CHEMBL4078564 |
OBDepict
H
2
N
N
N
N
NH
N
S
N
O
N
|
IC50 |
= |
4.0 |
nM |
472.58 |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2c1sc1ccccc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL3964573 |
OBDepict
CH
3
N
N
N
N
N
NH
H
H
2
N
O
HN
|
IC50 |
= |
4.2 |
nM |
560.79 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865273 |
single protein format |
CHEMBL4519811 |
OBDepict
CH
3
N
NH
N
O
NH
2
N
H
O
N
N
H
3
C
|
IC50 |
= |
4.5 |
nM |
507.68 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CCN(C)CC2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4445646 |
OBDepict
CH
3
N
S
O
O
CH
3
N
N
N
NH
F
F
F
O
O
|
IC50 |
= |
4.5 |
nM |
507.49 |
CN(c1cccc2c1CN(c1nc(Nc3ccc4c(c3)OCO4)ncc1C(F)(F)F)C2)S(C)(=O)=O |
Homo sapiens |
CHEMBL4326591 |
cell-based format |
CHEMBL4857746 |
OBDepict
NH
2
N
N
N
N
H
N
N
H
N
|
IC50 |
= |
4.8 |
nM |
506.66 |
Nc1nc(Nc2ccc3c(c2)CC[C@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4846125 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
F
F
O
N
N
N
CH
3
|
IC50 |
= |
4.9 |
nM |
576.54 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2F)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL3920222 |
OBDepict
O
N
H
H
3
C
N
O
N
CH
3
O
N
O
HO
H
3
C
CH
3
|
IC50 |
= |
5.0 |
nM |
538.6 |
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)cc2)c(=O)n(-c2ccccc2)n1C |
Homo sapiens |
CHEMBL3887258 |
single protein format |
CHEMBL4858746 |
OBDepict
H
3
C
N
N
H
O
O
F
N
H
3
C
NH
2
N
N
|
IC50 |
= |
5.0 |
nM |
468.49 |
Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4846616 |
OBDepict
F
N
O
N
H
O
O
N
CH
3
H
2
N
N
N
CH
3
|
IC50 |
= |
5.1 |
nM |
566.64 |
Cc1nc(N)c2c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)cn(C)c2n1 |
Homo sapiens |
CHEMBL4838186 |
single protein format |
CHEMBL4867669 |
OBDepict
F
N
O
O
N
N
H
O
CH
3
H
3
C
F
O
N
N
N
H
3
C
|
IC50 |
= |
5.5 |
nM |
558.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4855681 |
OBDepict
CH
3
NH
O
N
O
F
N
H
O
N
O
N
H
3
C
CH
3
O
F
|
IC50 |
= |
5.8 |
nM |
549.53 |
CCC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1 |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL2158230 |
OBDepict
N
N
N
H
N
H
O
N
N
O
|
IC50 |
= |
6.0 |
nM |
488.64 |
N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1 |
Homo sapiens |
CHEMBL2161434 |
single protein format |
CHEMBL4513513 |
OBDepict
CH
3
N
O
CH
3
H
3
C
N
H
O
F
O
N
N
N
H
|
IC50 |
= |
6.0 |
nM |
547.59 |
CCc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ncnc4[nH]cc(-c5ccccc5)c34)c(F)c1)c(C)n2C |
Homo sapiens |
CHEMBL4426892 |
single protein format |
CHEMBL4868163 |
OBDepict
H
3
C
N
H
N
N
H
O
N
N
O
NH
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
6.4 |
nM |
588.6 |
CNC1CN(C(=O)Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3)ncn2)C1 |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL254702 |
OBDepict
N
N
H
N
H
O
N
N
CH
3
N
H
3
C
|
IC50 |
= |
6.4 |
nM |
406.53 |
CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 |
Homo sapiens |
CHEMBL927242 |
single protein format |
CHEMBL4870149 |
OBDepict
CH
3
N
N
N
O
F
N
H
O
N
O
N
H
3
C
CH
3
O
F
|
IC50 |
= |
6.6 |
nM |
548.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CCN(C)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4824951 |
single protein format |
CHEMBL4856526 |
OBDepict
H
3
C
N
H
O
N
O
F
HN
O
N
O
N
H
3
C
CH
3
O
F
|
IC50 |
= |
6.7 |
nM |
535.51 |
CC(=O)Nc1cc(Oc2ccc(NC(=O)c3cn(C(C)C)c(=O)n(-c4ccc(F)cc4)c3=O)cc2F)ccn1 |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL2105717 |
OBDepict
CH
3
O
O
CH
3
O
N
N
H
O
HN
O
F
|
IC50 |
= |
7.0 |
nM |
501.51 |
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL3766485 |
single protein format |
CHEMBL4102842 |
OBDepict
Cl
N
N
N
N
NH
2
N
N
H
O
N
|
IC50 |
= |
7.0 |
nM |
450.93 |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL4856234 |
OBDepict
O
N
H
N
O
F
N
H
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
8.0 |
nM |
575.57 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4584949 |
OBDepict
O
N
H
N
O
F
NH
N
N
O
CH
3
F
|
IC50 |
= |
8.2 |
nM |
539.54 |
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21 |
Homo sapiens |
CHEMBL4376515 |
cell-based format |
CHEMBL4581972 |
OBDepict
CH
3
N
N
H
N
O
NH
2
NH
O
N
|
IC50 |
= |
8.3 |
nM |
450.59 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CC2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4875876 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
O
N
N
N
H
3
C
|
IC50 |
= |
8.7 |
nM |
540.56 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4851321 |
OBDepict
CH
3
N
O
N
N
H
O
O
F
O
N
N
N
H
3
C
|
IC50 |
= |
8.8 |
nM |
526.53 |
CCn1cc(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4068447 |
OBDepict
Cl
N
N
N
H
3
C
S
N
NH
2
N
N
H
N
N
|
IC50 |
= |
9.0 |
nM |
536.11 |
Cc1csc2c(-n3nc(Nc4ccc(N5CCN(C6CC7CCC6C7)CC5)cc4)nc3N)nc(Cl)nc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
IC50 |
= |
9.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL3811326 |
assay format |
CHEMBL4059790 |
OBDepict
CH
3
O
O
CH
3
N
N
N
N
NH
2
N
N
H
Cl
N
N
|
IC50 |
= |
9.0 |
nM |
576.11 |
COc1cc2ncnc(-n3nc(Nc4ccc(N5CCN(C6CC7CCC6C7)CC5)c(Cl)c4)nc3N)c2cc1OC |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL3967759 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
9.3 |
nM |
518.75 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865273 |
single protein format |
CHEMBL4095789 |
OBDepict
F
N
N
N
N
NH
2
N
N
H
N
N
|
IC50 |
= |
10.0 |
nM |
499.6 |
Nc1nc(Nc2ccc(N3CCN(C4CC5CCC4C5)CC3)cc2)nn1-c1ncnc2ccc(F)cc12 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL3810063 |
OBDepict
F
N
N
O
CH
3
H
3
C
NH
O
F
O
N
N
H
|
IC50 |
= |
10.0 |
nM |
551.55 |
Cc1c(C(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5ccccc5)c34)c(F)c2)c(=O)n(-c2ccc(F)cc2)n1C |
Homo sapiens |
CHEMBL3811326 |
assay format |
CHEMBL4529955 |
OBDepict
CH
3
N
HN
N
O
NH
2
N
H
O
N
O
H
2
N
|
IC50 |
= |
10.3 |
nM |
493.61 |
CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C(=O)C2(N)CC2)CC3)nc1NC1CCOCC1 |
Homo sapiens |
CHEMBL4424132 |
single protein format |
CHEMBL4846678 |
OBDepict
F
N
O
O
N
HN
O
H
3
C
CH
3
F
O
N
N
N
|
IC50 |
= |
10.5 |
nM |
584.58 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C5CC5)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL3984441 |
OBDepict
F
O
N
H
O
N
H
3
C
N
O
N
H
3
C
O
HO
CH
3
CH
3
|
IC50 |
= |
11.0 |
nM |
556.59 |
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C |
Homo sapiens |
CHEMBL3887258 |
single protein format |
CHEMBL3892515 |
OBDepict
CH
3
N
N
N
N
N
N
H
H
H
2
N
O
NH
|
IC50 |
= |
11.0 |
nM |
532.74 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865273 |
single protein format |
CHEMBL4794496 |
OBDepict
H
3
C
O
O
H
3
C
N
O
N
F
N
H
N
N
O
H
F
|
IC50 |
= |
11.0 |
nM |
553.53 |
COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC |
Homo sapiens |
CHEMBL4774503 |
single protein format |
CHEMBL4873958 |
OBDepict
CH
3
N
CH
3
N
H
O
N
O
N
H
O
N
O
N
CH
3
CH
3
O
F
|
IC50 |
= |
11.0 |
nM |
560.59 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)CN(C)C)c3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4822425 |
single protein format |
CHEMBL2036804 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
N
H
H
2
N
NH
|
IC50 |
= |
12.0 |
nM |
463.63 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037931 |
single protein format |
CHEMBL1908842 |
OBDepict
N
N
N
H
N
H
O
N
O
N
H
3
C
CH
3
|
IC50 |
= |
12.0 |
nM |
460.58 |
CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 |
Homo sapiens |
CHEMBL2161434 |
single protein format |
CHEMBL4856142 |
OBDepict
F
N
O
O
N
H
N
H
O
O
N
N
N
CH
3
|
IC50 |
= |
13.0 |
nM |
498.47 |
Cn1cc(-c2cnccc2Oc2ccc(NC(=O)c3c[nH]c(=O)n(-c4ccc(F)cc4)c3=O)cc2)cn1 |
Homo sapiens |
CHEMBL4823577 |
single protein format |
CHEMBL4218175 |
OBDepict
CH
3
N
H
N
N
N
N
N
N
H
3
C
|
IC50 |
= |
13.0 |
nM |
405.55 |
CNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)nn(CC3CCCC3)c2n1 |
Homo sapiens |
CHEMBL4188972 |
assay format |
CHEMBL3809489 |
OBDepict
NH
2
N
N
N
N
H
N
N
H
N
|
IC50 |
= |
14.0 |
nM |
506.66 |
Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 |
Homo sapiens |
CHEMBL3811333 |
single protein format |
CHEMBL3326006 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
14.0 |
nM |
476.67 |
CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363356 |
single protein format |
CHEMBL4086420 |
OBDepict
NH
2
N
N
N
N
H
N
N
O
N
|
IC50 |
= |
14.0 |
nM |
406.49 |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2c1CCC2 |
Homo sapiens |
CHEMBL4057778 |
assay format |
CHEMBL3910520 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
14.0 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865273 |
single protein format |
CHEMBL2023349 |
OBDepict
NH
2
N
N
N
N
H
N
N
N
|
IC50 |
= |
14.0 |
nM |
506.66 |
Nc1nc(Nc2ccc3c(c2)CCC(N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 |
Homo sapiens |
CHEMBL2027232 |
single protein format |