molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL495749 |
|
IC50 |
= |
0.1 |
nM |
389.46 |
CN1CCCC(Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL526507 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
N
H
O
|
IC50 |
= |
0.1 |
nM |
507.6 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(C(=O)NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023485 |
OBDepict
CH
3
O
O
HN
O
N
N
N
O
H
H
3
C
O
CH
3
CH
3
|
IC50 |
= |
0.2 |
nM |
462.51 |
CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)n[nH]1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL495984 |
OBDepict
CH
3
N
HN
H
3
C
N
O
N
N
H
H
|
IC50 |
= |
0.2 |
nM |
401.51 |
CCC1CCN(C)C(Nc2c(-c3nc4ccccc4[nH]3)c(=O)[nH]c3ccccc23)C1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023477 |
OBDepict
CH
3
O
O
N
H
O
N
N
O
H
3
C
O
CH
3
CH
3
O
H
3
C
|
IC50 |
= |
0.2 |
nM |
463.49 |
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1noc(C)c1C |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL1940109 |
OBDepict
CH
3
O
O
O
N
CH
3
N
O
N
N
N
H
O
O
H
3
C
|
IC50 |
= |
0.3 |
nM |
479.49 |
COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL2023476 |
OBDepict
CH
3
O
O
N
H
O
N
S
N
H
3
C
O
CH
3
|
IC50 |
= |
0.3 |
nM |
435.51 |
COc1ccc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)c(OC)c3)ccnc2c1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL495762 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
Cl
|
IC50 |
= |
0.3 |
nM |
408.89 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5c(Cl)cccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL498551 |
OBDepict
CH
3
N
N
N
NH
2
H
O
N
N
H
|
IC50 |
= |
0.3 |
nM |
374.45 |
CN1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2347053 |
OBDepict
H
N
N
+
N
O
N
H
O
_
O
|
IC50 |
= |
0.4 |
nM |
332.32 |
O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL2350672 |
single protein format |
CHEMBL1940273 |
OBDepict
H
3
C
N
N
N
H
O
O
N
O
CH
3
O
CH
3
|
IC50 |
= |
0.4 |
nM |
432.48 |
CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL2023482 |
OBDepict
CH
3
O
N
O
O
H
3
C
N
H
O
N
O
H
3
C
|
IC50 |
= |
0.4 |
nM |
433.46 |
CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)no1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL498013 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
|
IC50 |
= |
0.4 |
nM |
392.44 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5ccc(F)cc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023486 |
OBDepict
CH
3
O
N
O
O
CH
3
N
H
O
N
N
H
CH
3
|
IC50 |
= |
0.5 |
nM |
432.48 |
CCc1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)n[nH]1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL13976 |
OBDepict
CH
3
N
H
3
C
HN
O
CH
3
N
H
3
C
H
O
N
H
F
|
IC50 |
= |
0.5 |
nM |
370.43 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN(C)C |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL495735 |
OBDepict
CH
3
N
N
N
N
H
O
N
NH
2
H
N
H
|
IC50 |
= |
0.6 |
nM |
479.59 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL495763 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
CH
3
|
IC50 |
= |
0.7 |
nM |
388.48 |
Cc1cccc2[nH]c(=O)c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c(N)c12 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023118 |
OBDepict
CH
3
O
N
O
O
H
3
C
N
H
O
N
N
H
3
C
|
IC50 |
= |
0.7 |
nM |
432.48 |
CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)ccc34)cc2OC)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL1940108 |
OBDepict
H
3
C
O
N
H
O
N
N
O
N
N
O
H
3
C
O
H
3
C
|
IC50 |
= |
0.8 |
nM |
435.44 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL526285 |
OBDepict
O
N
H
NH
N
N
H
N
H
|
IC50 |
= |
0.9 |
nM |
373.46 |
O=c1[nH]c2ccccc2c(NCC2CCNCC2)c1-c1nc2ccccc2[nH]1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL1940259 |
OBDepict
CH
3
O
N
H
O
O
N
N
O
H
3
C
O
CH
3
|
IC50 |
= |
0.9 |
nM |
445.48 |
COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL2023117 |
OBDepict
CH
3
N
N
N
H
O
O
CH
3
O
N
O
H
3
C
O
H
3
C
|
IC50 |
= |
0.9 |
nM |
462.51 |
CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL498214 |
OBDepict
CH
3
N
N
O
N
N
H
NH
2
O
N
H
|
IC50 |
= |
0.9 |
nM |
402.46 |
CN1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023478 |
OBDepict
CH
3
O
O
N
H
O
N
N
O
CH
3
H
3
C
O
CH
3
|
IC50 |
= |
1.0 |
nM |
433.46 |
COc1ccc2c(Oc3ccc(CC(=O)Nc4noc(C)c4C)c(OC)c3)ccnc2c1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL268731 |
OBDepict
F
N
H
O
N
H
CH
3
H
3
C
NH
O
N
|
IC50 |
= |
1.0 |
nM |
390.42 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCc1ccncc1 |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL3632719 |
OBDepict
H
N
N
N
F
F
F
O
N
N
H
3
C
N
H
H
3
C
CH
3
H
3
C
|
IC50 |
= |
1.0 |
nM |
506.53 |
Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 |
Homo sapiens |
CHEMBL3636904 |
single protein format |
CHEMBL3335371 |
OBDepict
CH
3
HN
O
N
O
N
N
H
3
C
N
H
CH
3
H
3
C
CH
3
|
IC50 |
= |
1.0 |
nM |
429.52 |
CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 |
Homo sapiens |
CHEMBL3636904 |
single protein format |
CHEMBL4067871 |
OBDepict
OH
N
H
H
N
OH
Cl
N
|
IC50 |
= |
1.0 |
nM |
467.96 |
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL4018641 |
single protein format |
CHEMBL1940112 |
OBDepict
H
3
C
O
O
N
O
N
N
N
N
N
H
O
O
CH
3
|
IC50 |
= |
1.0 |
nM |
518.57 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL4075917 |
OBDepict
HO
NH
H
N
OH
N
H
3
C
N
F
H
|
IC50 |
= |
1.0 |
nM |
454.51 |
Cc1n[nH]c2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3ccc(F)cc3O)cc12 |
Homo sapiens |
CHEMBL4018641 |
single protein format |
CHEMBL4072731 |
OBDepict
O
NH
N
H
CH
3
N
O
N
H
3
C
N
N
H
|
IC50 |
< |
1.0 |
nM |
442.52 |
Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)ccc1N1CCOCC1 |
Homo sapiens |
CHEMBL4012660 |
assay format |
CHEMBL495962 |
OBDepict
CH
3
N
H
3
C
N
O
H
3
C
N
N
H
NH
2
O
N
H
|
IC50 |
= |
1.0 |
nM |
390.45 |
CN(C)CC(=O)N(C)c1ccc2[nH]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL429743 |
OBDepict
H
3
C
O
O
H
3
C
O
N
N
H
O
Cl
|
IC50 |
< |
1.0 |
nM |
484.94 |
COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC |
Homo sapiens |
CHEMBL933000 |
single protein format |
CHEMBL496763 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
|
IC50 |
= |
1.0 |
nM |
392.44 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(F)ccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL13608 |
OBDepict
F
N
H
O
N
H
H
3
C
CH
3
HN
O
N
|
IC50 |
= |
1.0 |
nM |
396.47 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1 |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL400402 |
OBDepict
OH
Cl
H
3
C
N
N
N
N
H
O
N
|
IC50 |
= |
1.1 |
nM |
475.98 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL250214 |
OBDepict
OH
Cl
H
3
C
N
N
N
N
H
N
O
HN
|
IC50 |
= |
1.2 |
nM |
474.95 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCNCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
1.2 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4002773 |
single protein format |
CHEMBL2086760 |
OBDepict
CH
3
N
N
H
N
H
O
N
N
H
Cl
|
IC50 |
= |
1.3 |
nM |
447.97 |
CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccc(Cl)cc2)c2ncc[nH]2)C(=O)N3)CC1 |
Homo sapiens |
CHEMBL2089887 |
single protein format |
CHEMBL341258 |
OBDepict
CH
3
O
O
O
N
N
N
O
CH
3
N
N
H
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
1.4 |
nM |
537.66 |
COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c2cc1OCCOC |
Homo sapiens |
CHEMBL763437 |
cell-based format |
CHEMBL1946170 |
OBDepict
CH
3
NH
O
N
O
F
N
H
NH
O
Cl
F
F
F
|
IC50 |
= |
1.5 |
nM |
482.82 |
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1 |
Homo sapiens |
CHEMBL4399256 |
single protein format |
CHEMBL4177014 |
OBDepict
CH
3
N
N
N
O
H
3
C
N
H
O
N
H
N
N
N
|
IC50 |
= |
1.5 |
nM |
548.65 |
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3C(=O)Nc4cc(-n5nccn5)ccc43)c3ccccc3)cc2)CC1 |
Homo sapiens |
CHEMBL4136261 |
single protein format |
CHEMBL3322566 |
OBDepict
CH
3
O
N
H
O
N
H
O
N
H
O
N
CH
3
H
H
3
C
N
H
O
N
|
IC50 |
= |
1.54 |
nM |
584.68 |
COc1ccc(NC(=O)CC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)cc1 |
Homo sapiens |
CHEMBL3362107 |
single protein format |
CHEMBL249821 |
OBDepict
HO
Cl
CH
3
N
N
N
N
H
S
HN
O
O
N
|
IC50 |
= |
1.7 |
nM |
539.06 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL4289577 |
OBDepict
F
N
O
N
N
H
O
F
O
N
N
H
|
IC50 |
= |
1.81 |
nM |
509.47 |
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4252891 |
single protein format |
CHEMBL3651246 |
OBDepict
HO
Cl
H
3
C
N
N
N
N
H
S
HN
O
O
N
|
IC50 |
= |
1.9 |
nM |
539.06 |
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cc(O)ccc1Cl |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL2023484 |
OBDepict
CH
3
O
O
HN
O
N
N
N
H
CH
3
O
CH
3
|
IC50 |
= |
2.0 |
nM |
432.48 |
CCc1c[nH]nc1NC(=O)Cc1ccc(Oc2ccnc3cc(OC)ccc23)cc1OC |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL121829 |
OBDepict
H
3
C
O
O
N
N
N
N
N
H
O
O
N
H
|
IC50 |
= |
2.0 |
nM |
538.61 |
COCCOc1ccc2c(N3CCN(C(=O)Nc4ccc(Oc5ccc6[nH]ccc6c5)cc4)CC3)ncnc2c1 |
Homo sapiens |
CHEMBL763437 |
cell-based format |
CHEMBL1940110 |
OBDepict
CH
3
O
O
O
H
3
C
N
O
N
N
N
N
H
O
O
CH
3
|
IC50 |
= |
2.0 |
nM |
479.49 |
COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1940113 |
OBDepict
CH
3
O
N
H
O
N
N
O
N
N
O
CH
3
O
CH
3
|
IC50 |
= |
2.0 |
nM |
435.44 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1940114 |
OBDepict
H
3
C
O
N
H
O
N
N
O
N
N
O
H
3
C
|
IC50 |
= |
2.0 |
nM |
429.44 |
COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(C#N)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL204427 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
|
IC50 |
= |
2.0 |
nM |
374.45 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL2023495 |
OBDepict
CH
3
O
N
O
HN
O
N
N
N
O
CH
3
CH
3
|
IC50 |
= |
2.0 |
nM |
433.47 |
CCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL495961 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
|
IC50 |
= |
2.0 |
nM |
388.48 |
CN1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL535 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
F
|
IC50 |
= |
2.0 |
nM |
398.48 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c1C |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL496762 |
OBDepict
CH
3
HN
H
2
N
N
H
N
N
O
H
N
N
H
3
C
|
IC50 |
= |
2.0 |
nM |
403.49 |
CNc1cccc2[nH]c(=O)c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c(N)c12 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL1940115 |
OBDepict
H
3
C
O
N
H
O
N
N
O
N
O
H
3
C
O
H
3
C
|
IC50 |
= |
2.0 |
nM |
434.45 |
COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1278147 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
Cl
|
IC50 |
= |
2.0 |
nM |
426.95 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(Cl)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285789 |
single protein format |
CHEMBL13354 |
OBDepict
F
N
H
O
N
H
CH
3
H
3
C
NH
O
N
O
|
IC50 |
= |
2.0 |
nM |
412.47 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCOCC1 |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL3651249 |
OBDepict
OH
Cl
CH
3
N
N
N
N
H
N
N
O
|
IC50 |
= |
2.1 |
nM |
448.91 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(N4CCOCC4)nc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL1784637 |
OBDepict
HO
N
N
F
F
F
N
H
O
CH
3
N
N
CH
3
N
H
O
CH
3
|
IC50 |
= |
2.6 |
nM |
582.63 |
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C |
Homo sapiens |
CHEMBL1785335 |
single protein format |
CHEMBL250625 |
OBDepict
OH
Cl
CH
3
N
N
N
HN
S
O
O
HN
|
IC50 |
= |
2.8 |
nM |
510.02 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL399268 |
OBDepict
HO
Cl
CH
3
N
N
N
N
H
S
O
O
N
|
IC50 |
= |
2.9 |
nM |
538.07 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL2023119 |
OBDepict
CH
3
O
O
HN
O
N
N
N
O
CH
3
CH
3
|
IC50 |
= |
3.0 |
nM |
432.48 |
CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4ccc(OC)cc34)cc2OC)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL2023800 |
OBDepict
H
3
C
N
N
N
H
O
N
O
N
O
CH
3
O
CH
3
|
IC50 |
= |
3.0 |
nM |
433.47 |
CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL2023802 |
OBDepict
CH
3
O
O
N
CH
3
O
N
O
CH
3
N
H
O
N
N
CH
3
H
CH
3
|
IC50 |
= |
3.0 |
nM |
491.55 |
CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL1940111 |
OBDepict
H
3
C
O
O
N
N
O
N
N
N
N
H
O
O
CH
3
|
IC50 |
= |
3.0 |
nM |
532.6 |
COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL200735 |
OBDepict
CH
3
O
O
H
3
C
N
N
H
N
H
Cl
|
IC50 |
= |
3.0 |
nM |
341.8 |
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(Cl)c3)c1C2 |
Homo sapiens |
CHEMBL861463 |
single protein format |
CHEMBL1940107 |
OBDepict
CH
3
O
O
CH
3
N
O
N
N
N
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
3.0 |
nM |
449.47 |
COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(N(C)C)cn4)c3)c2cc1OC |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1980297 |
OBDepict
OH
N
N
N
S
H
2
N
N
H
NH
O
F
|
IC50 |
= |
3.0 |
nM |
488.55 |
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 |
Homo sapiens |
CHEMBL2024899 |
single protein format |
CHEMBL1940272 |
OBDepict
H
3
C
N
N
N
H
O
O
N
N
O
CH
3
O
CH
3
|
IC50 |
= |
3.0 |
nM |
433.47 |
CCn1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1278233 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
Br
|
IC50 |
= |
3.0 |
nM |
471.4 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(Br)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285789 |
single protein format |
CHEMBL13983 |
OBDepict
H
3
C
N
NH
O
CH
3
H
3
C
N
H
O
NH
F
|
IC50 |
= |
3.0 |
nM |
410.49 |
Cc1[nH]c(/C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCC1CCN(C)CC1 |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL2023115 |
OBDepict
CH
3
N
N
N
H
O
O
CH
3
O
N
N
O
H
3
C
O
H
3
C
|
IC50 |
= |
3.0 |
nM |
463.49 |
CCn1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2OC)cn1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL1278234 |
OBDepict
H
3
C
N
CH
3
N
O
N
CH
3
H
O
NH
F
|
IC50 |
= |
3.0 |
nM |
382.44 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2 |
Homo sapiens |
CHEMBL1285789 |
single protein format |
CHEMBL522732 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
F
|
IC50 |
= |
3.0 |
nM |
410.43 |
CN1CCN(c2ccc3[nH]c(-c4c(N)c5cc(F)c(F)cc5[nH]c4=O)nc3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL13485 |
OBDepict
H
3
C
N
CH
3
HN
O
H
3
C
CH
3
N
H
O
N
H
Cl
|
IC50 |
= |
3.0 |
nM |
414.94 |
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(Cl)cc32)c1C |
Homo sapiens |
CHEMBL768949 |
single protein format |
CHEMBL250019 |
OBDepict
HO
Cl
CH
3
N
N
N
N
H
S
N
O
O
H
3
C
N
|
IC50 |
= |
3.1 |
nM |
553.09 |
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL4170680 |
OBDepict
H
3
C
O
O
HN
O
N
H
N
O
H
N
N
CH
3
|
IC50 |
= |
3.2 |
nM |
565.67 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N2C(=O)CC[C@@H]2CN2CCN(C)CC2)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL4136261 |
single protein format |
CHEMBL4066684 |
OBDepict
F
N
N
O
N
H
O
H
3
C
F
O
N
N
H
|
IC50 |
= |
3.26 |
nM |
473.44 |
Cc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1 |
Homo sapiens |
CHEMBL4034166 |
single protein format |
CHEMBL3651202 |
OBDepict
CH
3
O
Cl
CH
3
N
N
N
N
H
N
O
N
H
3
C
|
IC50 |
= |
3.5 |
nM |
503.01 |
COc1ccc(Cl)c(-c2cc3nnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nc3cc2C)c1 |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL3651210 |
OBDepict
CH
3
N
N
O
N
H
N
N
N
CH
3
Cl
OH
|
IC50 |
= |
3.7 |
nM |
488.98 |
Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cc(O)ccc1Cl |
Homo sapiens |
CHEMBL3707813 |
single protein format |
CHEMBL2023483 |
OBDepict
CH
3
O
O
N
H
O
N
N
N
CH
3
H
H
3
C
O
CH
3
|
IC50 |
= |
4.0 |
nM |
432.48 |
COc1ccc2c(Oc3ccc(CC(=O)Nc4n[nH]c(C)c4C)c(OC)c3)ccnc2c1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL2023489 |
OBDepict
CH
3
O
O
N
H
O
N
N
CH
3
N
H
3
C
O
CH
3
|
IC50 |
= |
4.0 |
nM |
432.48 |
COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1 |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL2023801 |
OBDepict
CH
3
O
N
O
HN
O
N
N
N
H
3
C
O
H
H
3
C
O
CH
3
CH
3
|
IC50 |
= |
4.0 |
nM |
477.52 |
CCc1[nH]nc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cc2OC)c1C |
Homo sapiens |
CHEMBL2027405 |
single protein format |
CHEMBL1940274 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
H
O
N
N
CH
3
H
3
C
|
IC50 |
= |
4.0 |
nM |
447.5 |
COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(C(C)C)c4)cc3)c2cc1OC |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1940266 |
OBDepict
CH
3
O
N
H
O
O
N
N
O
H
3
C
O
CH
3
|
IC50 |
= |
4.0 |
nM |
445.48 |
COc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1940116 |
OBDepict
H
3
C
O
O
H
3
C
N
O
N
N
N
N
H
O
N
N
CH
3
|
IC50 |
= |
4.0 |
nM |
423.43 |
CCn1cc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)cn1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL1940268 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
H
O
N
N
H
CH
3
|
IC50 |
= |
4.0 |
nM |
433.47 |
CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)n[nH]1 |
Homo sapiens |
CHEMBL1942929 |
cell-based format |
CHEMBL496150 |
OBDepict
H
3
C
N
CH
3
H
N
N
N
H
NH
2
O
N
H
|
IC50 |
= |
4.0 |
nM |
388.48 |
CN(C)[C@H]1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)C1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |
CHEMBL314995 |
OBDepict
HO
O
N
H
O
HN
Br
|
IC50 |
= |
4.0 |
nM |
415.29 |
O=C(O)CCc1c(/C=C2C(=O)Nc3ccc(Br)cc32)[nH]c2c1CCCC2 |
Homo sapiens |
CHEMBL764822 |
single protein format |
CHEMBL1276890 |
OBDepict
F
HN
O
N
H
3
C
H
O
N
N
|
IC50 |
= |
4.0 |
nM |
408.48 |
Cc1c(/C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CC2 |
Homo sapiens |
CHEMBL1285789 |
single protein format |
CHEMBL1278146 |
OBDepict
H
3
C
N
H
3
C
N
O
N
CH
3
H
O
NH
F
|
IC50 |
= |
4.0 |
nM |
410.49 |
CCN(CC)CCN1CCc2[nH]c(/C=C3C(=O)Nc4ccc(F)cc43)c(C)c2C1=O |
Homo sapiens |
CHEMBL1285789 |
single protein format |
CHEMBL120077 |
OBDepict
CH
3
O
O
H
3
C
N
N
H
N
H
F
|
IC50 |
= |
4.2 |
nM |
325.34 |
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2 |
Homo sapiens |
CHEMBL861463 |
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 |
= |
4.3 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3630472 |
single protein format |
CHEMBL4171244 |
OBDepict
H
3
C
O
O
HN
O
N
H
N
O
H
N
N
CH
3
|
IC50 |
= |
4.3 |
nM |
565.67 |
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N2C(=O)CC[C@H]2CN2CCN(C)CC2)cc1)c1ccccc1 |
Homo sapiens |
CHEMBL4136261 |
single protein format |
CHEMBL4160821 |
OBDepict
CH
3
N
N
N
O
H
3
C
N
H
O
N
H
N
O
N
|
IC50 |
= |
4.5 |
nM |
549.64 |
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3C(=O)Nc4cc(-c5nnco5)ccc43)c3ccccc3)cc2)CC1 |
Homo sapiens |
CHEMBL4136261 |
single protein format |
CHEMBL3774451 |
OBDepict
F
N
N
N
F
F
F
N
H
O
F
O
N
N
H
|
IC50 |
= |
4.57 |
nM |
500.39 |
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F |
Homo sapiens |
CHEMBL3779156 |
single protein format |
CHEMBL3288526 |
OBDepict
O
N
H
S
H
2
N
N
N
|
IC50 |
= |
4.6 |
nM |
396.48 |
Nc1ncnc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12 |
Homo sapiens |
CHEMBL3295615 |
single protein format |
CHEMBL522892 |
OBDepict
CH
3
N
N
N
N
H
NH
2
O
N
H
F
|
IC50 |
= |
5.0 |
nM |
392.44 |
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 |
Homo sapiens |
CHEMBL1011001 |
single protein format |