molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3797635 |
|
Ki |
= |
0.0025 |
nM |
458.54 |
N#Cc1cccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3800456 |
OBDepict
O
N
O
CH
3
S
N
N
O
|
Ki |
= |
0.0034 |
nM |
447.56 |
Cc1ccccc1OC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797841 |
OBDepict
O
N
O
Cl
S
N
N
O
|
Ki |
= |
0.0053 |
nM |
467.98 |
O=C(Oc1ccccc1Cl)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798156 |
OBDepict
O
N
O
S
N
N
O
|
Ki |
= |
0.007 |
nM |
433.53 |
O=C(Oc1ccccc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802169 |
assay format |
CHEMBL3799744 |
OBDepict
Cl
O
N
O
S
N
N
O
|
Ki |
= |
0.0072 |
nM |
467.98 |
O=C(Oc1ccc(Cl)cc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797809 |
OBDepict
N
O
N
O
N
S
N
N
O
|
Ki |
= |
0.0081 |
nM |
459.53 |
N#Cc1ccc(OC(=O)N2CCN(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797772 |
OBDepict
Cl
O
N
O
N
S
N
N
O
|
IC50 |
= |
0.01 |
nM |
468.97 |
O=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798535 |
OBDepict
CH
3
O
O
N
O
S
N
N
O
|
IC50 |
= |
0.01 |
nM |
463.56 |
COc1ccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798476 |
OBDepict
N
O
N
O
S
N
N
O
|
Ki |
= |
0.013 |
nM |
458.54 |
N#Cc1ccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802169 |
assay format |
CHEMBL3798355 |
OBDepict
O
N
O
N
S
N
F
F
F
N
O
|
Ki |
= |
0.0147 |
nM |
502.52 |
O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3799008 |
OBDepict
N
O
N
O
N
S
N
N
O
|
Ki |
= |
0.0185 |
nM |
459.53 |
N#Cc1cccc(OC(=O)N2CCN(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3799516 |
OBDepict
O
N
O
N
S
N
+
N
O
_
O
N
O
|
Ki |
= |
0.0185 |
nM |
479.52 |
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3800599 |
OBDepict
H
3
C
O
N
O
S
N
N
O
|
Ki |
= |
0.0185 |
nM |
447.56 |
Cc1ccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798487 |
OBDepict
O
N
O
N
S
N
N
O
|
IC50 |
= |
0.02 |
nM |
434.52 |
O=C(Oc1cccnc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797635 |
OBDepict
N
O
N
O
S
N
N
O
|
IC50 |
= |
0.03 |
nM |
458.54 |
N#Cc1cccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797226 |
OBDepict
O
N
O
S
N
F
F
F
N
O
|
Ki |
= |
0.0336 |
nM |
501.53 |
O=C(Oc1ccc(C(F)(F)F)cc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797377 |
OBDepict
Cl
O
N
O
S
N
N
O
|
Ki |
= |
0.0383 |
nM |
467.98 |
O=C(Oc1cccc(Cl)c1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3800456 |
OBDepict
O
N
O
CH
3
S
N
N
O
|
IC50 |
= |
0.04 |
nM |
447.56 |
Cc1ccccc1OC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798594 |
OBDepict
CH
3
O
N
O
S
N
N
O
|
Ki |
= |
0.056 |
nM |
447.56 |
Cc1cccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802169 |
assay format |
CHEMBL3797841 |
OBDepict
O
N
O
Cl
S
N
N
O
|
IC50 |
= |
0.06 |
nM |
467.98 |
O=C(Oc1ccccc1Cl)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3798156 |
OBDepict
O
N
O
S
N
N
O
|
IC50 |
= |
0.07 |
nM |
433.53 |
O=C(Oc1ccccc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3799744 |
OBDepict
Cl
O
N
O
S
N
N
O
|
IC50 |
= |
0.08 |
nM |
467.98 |
O=C(Oc1ccc(Cl)cc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3797809 |
OBDepict
N
O
N
O
N
S
N
N
O
|
IC50 |
= |
0.09 |
nM |
459.53 |
N#Cc1ccc(OC(=O)N2CCN(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL1812722 |
OBDepict
F
O
O
N
N
O
N
|
IC50 |
= |
0.093 |
nM |
395.43 |
O=C(N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1)n1ccnc1 |
Homo sapiens |
CHEMBL1816096 |
single protein format |
CHEMBL175854 |
OBDepict
O
N
O
N
|
Ki |
= |
0.094 |
nM |
294.35 |
O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL839918 |
single protein format |
CHEMBL112486 |
OBDepict
H
3
C
S
O
O
F
|
IC50 |
= |
0.1 |
nM |
356.55 |
CCCCC/C=CC/C=CC/C=CC/C=CCCCCS(=O)(=O)F |
Homo sapiens |
CHEMBL832951 |
single protein format |
CHEMBL182199 |
OBDepict
O
N
O
N
|
IC50 |
= |
0.1 |
nM |
336.44 |
O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL833470 |
single protein format |
CHEMBL3798476 |
OBDepict
N
O
N
O
S
N
N
O
|
IC50 |
= |
0.14 |
nM |
458.54 |
N#Cc1ccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3799633 |
OBDepict
O
N
O
N
S
N
N
O
|
Ki |
= |
0.147 |
nM |
434.52 |
O=C(Oc1ccccc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL598764 |
OBDepict
CH
3
O
N
H
O
O
N
N
|
IC50 |
= |
0.15 |
nM |
411.55 |
CCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL3798355 |
OBDepict
O
N
O
N
S
N
F
F
F
N
O
|
IC50 |
= |
0.16 |
nM |
502.52 |
O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL4078217 |
OBDepict
O
N
O
F
F
F
F
F
F
N
N
|
IC50 |
= |
0.16 |
nM |
407.31 |
O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(Cc3ccccc3)n2)C1 |
Homo sapiens |
CHEMBL4032632 |
single protein format |
CHEMBL597648 |
OBDepict
CH
3
O
N
H
O
O
N
F
|
IC50 |
= |
0.2 |
nM |
400.49 |
CCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL3799008 |
OBDepict
N
O
N
O
N
S
N
N
O
|
IC50 |
= |
0.2 |
nM |
459.53 |
N#Cc1cccc(OC(=O)N2CCN(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3800599 |
OBDepict
H
3
C
O
N
O
S
N
N
O
|
IC50 |
= |
0.2 |
nM |
447.56 |
Cc1ccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)cc1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL3799516 |
OBDepict
O
N
O
N
S
N
+
N
O
_
O
N
O
|
IC50 |
= |
0.2 |
nM |
479.52 |
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL596658 |
OBDepict
CH
3
O
N
H
O
O
N
F
|
IC50 |
= |
0.25 |
nM |
414.52 |
CCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL597430 |
OBDepict
CH
3
O
N
H
O
O
N
|
IC50 |
= |
0.25 |
nM |
382.5 |
CCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL272111 |
OBDepict
N
O
N
O
|
Ki |
= |
0.26 |
nM |
302.33 |
N#Cc1cnc(C(=O)CCc2ccc(-c3ccccc3)cc2)o1 |
Homo sapiens |
CHEMBL949129 |
single protein format |
CHEMBL597647 |
OBDepict
CH
3
O
N
H
O
O
N
F
|
IC50 |
= |
0.27 |
nM |
386.47 |
CCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL367966 |
OBDepict
O
O
N
N
|
Ki |
= |
0.28 |
nM |
308.38 |
O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL464186 |
OBDepict
O
N
O
N
|
Ki |
= |
0.3 |
nM |
280.33 |
O=C(CCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL2386566 |
OBDepict
H
H
N
O
CH
3
CH
3
N
S
N
H
3
C
Cl
|
IC50 |
= |
0.3 |
nM |
411.96 |
CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL2388902 |
cell-based format |
CHEMBL179760 |
OBDepict
O
O
N
N
|
IC50 |
= |
0.3 |
nM |
322.41 |
O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL833470 |
single protein format |
CHEMBL367966 |
OBDepict
O
O
N
N
|
IC50 |
= |
0.3 |
nM |
308.38 |
O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL828563 |
single protein format |
CHEMBL597431 |
OBDepict
CH
3
O
N
H
O
O
N
|
IC50 |
= |
0.35 |
nM |
396.53 |
CCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL598558 |
OBDepict
CH
3
O
N
H
O
O
N
N
|
IC50 |
= |
0.35 |
nM |
397.52 |
CCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL597940 |
OBDepict
CH
3
O
N
H
O
O
N
N
|
IC50 |
= |
0.35 |
nM |
425.57 |
CCCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL4641417 |
OBDepict
N
N
CH
3
O
O
CH
3
|
IC50 |
= |
0.36 |
nM |
308.38 |
COc1cccc(-c2ccc(COC3(C)CN(C#N)C3)cc2)c1 |
Homo sapiens |
CHEMBL4610454 |
assay format |
CHEMBL3797226 |
OBDepict
O
N
O
S
N
F
F
F
N
O
|
IC50 |
= |
0.36 |
nM |
501.53 |
O=C(Oc1ccc(C(F)(F)F)cc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL179760 |
OBDepict
O
O
N
N
|
Ki |
= |
0.39 |
nM |
322.41 |
O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL220770 |
OBDepict
N
O
N
O
|
Ki |
= |
0.4 |
nM |
282.34 |
N#Cc1cnc(C(=O)CCCCCCc2ccccc2)o1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL486157 |
OBDepict
O
N
O
N
O
|
IC50 |
= |
0.4 |
nM |
404.51 |
O=C(CCCC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)c1ncco1 |
Homo sapiens |
CHEMBL938654 |
single protein format |
CHEMBL596659 |
OBDepict
CH
3
O
N
H
O
O
N
F
|
IC50 |
= |
0.4 |
nM |
428.55 |
CCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL3797377 |
OBDepict
Cl
O
N
O
S
N
N
O
|
IC50 |
= |
0.41 |
nM |
467.98 |
O=C(Oc1cccc(Cl)c1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL597229 |
OBDepict
CH
3
O
N
H
O
O
N
|
IC50 |
= |
0.43 |
nM |
368.48 |
CCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL2326178 |
OBDepict
F
F
N
S
N
N
NH
O
N
O
CH
3
CH
3
|
IC50 |
= |
0.43 |
nM |
419.46 |
Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4F)cs3)CC2)c1C |
Homo sapiens |
CHEMBL2327495 |
cell-based format |
CHEMBL427424 |
OBDepict
O
N
O
N
O
|
Ki |
= |
0.45 |
nM |
384.44 |
O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1 |
Homo sapiens |
CHEMBL888482 |
cell-based format |
CHEMBL586217 |
OBDepict
CH
3
O
N
H
O
O
N
|
IC50 |
= |
0.45 |
nM |
410.56 |
CCCCCCCCCCCOc1ccc(NC(=O)O/N=C/c2ccccc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL4077745 |
OBDepict
O
N
O
F
F
F
F
F
F
N
N
|
IC50 |
= |
0.49 |
nM |
469.38 |
O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2cc(-c3ccccc3)n(-c3ccccc3)n2)C1 |
Homo sapiens |
CHEMBL4032632 |
single protein format |
CHEMBL1765982 |
OBDepict
O
H
N
O
N
O
|
Ki |
= |
0.5 |
nM |
320.35 |
O=C(c1nnco1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1 |
Homo sapiens |
CHEMBL1767925 |
cell-based format |
CHEMBL4091498 |
OBDepict
O
O
N
H
N
N
O
NH
2
Cl
Cl
|
IC50 |
= |
0.5 |
nM |
527.45 |
NC(=O)c1cccc(-c2ccc(OC(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1 |
Homo sapiens |
CHEMBL4008737 |
cell-based format |
CHEMBL2386568 |
OBDepict
H
3
C
N
H
O
H
H
N
S
N
H
3
C
Cl
|
IC50 |
= |
0.5 |
nM |
397.93 |
CNC(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL2388902 |
cell-based format |
CHEMBL2386554 |
OBDepict
Cl
S
N
N
H
H
H
N
O
H
2
N
|
IC50 |
= |
0.5 |
nM |
393.89 |
[11CH3]n1cc(Sc2ccc(Cl)cc2)c(-c2ccc3ccc(C(N)=O)nc3c2)n1 |
Homo sapiens |
CHEMBL2388902 |
cell-based format |
CHEMBL2207348 |
OBDepict
Cl
O
N
N
N
H
O
N
O
N
|
IC50 |
= |
0.5 |
nM |
463.93 |
O=C(Nc1noc2cnccc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 |
Homo sapiens |
CHEMBL2211371 |
single protein format |
CHEMBL258820 |
OBDepict
N
O
N
O
O
|
Ki |
= |
0.51 |
nM |
332.36 |
N#Cc1cnc(C(=O)CCc2ccc(COc3ccccc3)cc2)o1 |
Homo sapiens |
CHEMBL949089 |
cell-based format |
CHEMBL182199 |
OBDepict
O
N
O
N
|
Ki |
= |
0.52 |
nM |
336.44 |
O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL257307 |
OBDepict
CH
3
O
O
N
N
|
Ki |
= |
0.57 |
nM |
302.42 |
CCCCCCCCCCCC(=O)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL1816096 |
single protein format |
CHEMBL219658 |
OBDepict
CH
3
N
O
N
O
|
Ki |
= |
0.6 |
nM |
348.45 |
Cc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL410598 |
OBDepict
O
N
O
N
O
|
Ki |
= |
0.6 |
nM |
358.4 |
O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL888482 |
cell-based format |
CHEMBL4781803 |
OBDepict
O
O
NH
N
N
O
NH
2
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
541.48 |
NC(=O)c1ccc(-c2ccc(OC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1 |
Homo sapiens |
CHEMBL4683837 |
cell-based format |
CHEMBL3798594 |
OBDepict
CH
3
O
N
O
S
N
N
O
|
IC50 |
= |
0.6 |
nM |
447.56 |
Cc1cccc(OC(=O)N2CCC(c3nc(C4=NOC(c5ccccc5)C4)cs3)CC2)c1 |
Homo sapiens |
CHEMBL3802167 |
assay format |
CHEMBL182206 |
OBDepict
O
N
O
N
N
|
IC50 |
= |
0.6 |
nM |
349.43 |
O=C(CCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 |
Homo sapiens |
CHEMBL833470 |
single protein format |
CHEMBL220379 |
OBDepict
CH
3
O
O
N
O
N
O
|
IC50 |
= |
0.6 |
nM |
392.46 |
COC(=O)c1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL4092052 |
OBDepict
O
O
HN
N
N
O
NH
2
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
541.48 |
NC(=O)c1cccc(-c2ccc(OC(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1 |
Homo sapiens |
CHEMBL4008737 |
cell-based format |
CHEMBL4086944 |
OBDepict
O
O
NH
F
N
N
O
H
2
N
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
557.45 |
NC(=O)c1cccc(-c2ccc(OC(=O)NC/C=C/CN3CCN(c4cccc(Cl)c4Cl)CC3)cc2F)c1 |
Homo sapiens |
CHEMBL4008737 |
cell-based format |
CHEMBL4204424 |
OBDepict
O
N
N
H
N
O
F
F
F
|
IC50 |
= |
0.6 |
nM |
455.48 |
O=C(Nc1cccnc1)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)CC1 |
Homo sapiens |
CHEMBL4187626 |
cell-based format |
CHEMBL4438972 |
OBDepict
NH
2
N
N
N
H
O
O
N
F
F
F
|
IC50 |
= |
0.6 |
nM |
469.47 |
Nc1ncc(C(=O)NC2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1 |
Homo sapiens |
CHEMBL4371947 |
assay format |
CHEMBL4070196 |
OBDepict
O
O
N
H
N
N
O
NH
2
Cl
Cl
|
IC50 |
= |
0.6 |
nM |
527.45 |
NC(=O)c1cccc(-c2cccc(OC(=O)NCCCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1 |
Homo sapiens |
CHEMBL4008737 |
cell-based format |
CHEMBL3799603 |
OBDepict
O
O
N
H
N
N
Cl
Cl
|
IC50 |
= |
0.63 |
nM |
422.36 |
O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccccc1 |
Homo sapiens |
CHEMBL3803092 |
cell-based format |
CHEMBL483697 |
OBDepict
O
O
N
H
O
NH
2
|
IC50 |
= |
0.63 |
nM |
396.45 |
NC(=O)c1cccc(-c2cccc(OC(=O)NCc3ccc4ccccc4c3)c2)c1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL598557 |
OBDepict
CH
3
O
N
H
O
O
N
N
|
IC50 |
= |
0.65 |
nM |
383.49 |
CCCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL405604 |
OBDepict
O
N
O
F
F
F
O
|
Ki |
= |
0.67 |
nM |
375.35 |
O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(C(F)(F)F)o1 |
Homo sapiens |
CHEMBL949089 |
cell-based format |
CHEMBL4097203 |
OBDepict
O
N
O
F
F
F
F
F
F
N
N
F
F
|
IC50 |
= |
0.67 |
nM |
429.27 |
O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3ccc(F)c(F)c3)n2)C1 |
Homo sapiens |
CHEMBL4032632 |
single protein format |
CHEMBL2326194 |
OBDepict
O
N
N
H
N
N
O
H
3
C
CH
3
S
N
F
|
IC50 |
= |
0.67 |
nM |
401.47 |
Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)cs3)CC2)c1C |
Homo sapiens |
CHEMBL2327495 |
cell-based format |
CHEMBL257305 |
OBDepict
CH
3
O
N
O
N
|
Ki |
= |
0.69 |
nM |
246.31 |
CCCCCCCC(=O)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL1816096 |
single protein format |
CHEMBL4593464 |
OBDepict
O
N
H
N
O
N
F
F
F
|
IC50 |
= |
0.7 |
nM |
453.46 |
O=C(NC1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1)c1cccnc1 |
Homo sapiens |
CHEMBL4371947 |
assay format |
CHEMBL1812708 |
OBDepict
CH
3
O
N
O
N
|
Ki |
= |
0.75 |
nM |
274.36 |
CCCCCCCCCC(=O)c1nc2ncccc2o1 |
Homo sapiens |
CHEMBL1816096 |
single protein format |
CHEMBL220629 |
OBDepict
CH
3
O
N
O
N
O
|
Ki |
= |
0.8 |
nM |
364.45 |
COc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL373606 |
OBDepict
O
N
O
F
F
F
|
Ki |
= |
0.8 |
nM |
325.33 |
O=C(CCCCCCc1ccccc1)c1ncc(C(F)(F)F)o1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL361529 |
OBDepict
O
N
O
N
N
|
IC50 |
= |
0.8 |
nM |
363.46 |
O=C(CCCCCCCCc1ccccc1)c1nnc(-c2ccccn2)o1 |
Homo sapiens |
CHEMBL833470 |
single protein format |
CHEMBL219633 |
OBDepict
N
N
O
N
O
|
IC50 |
= |
0.8 |
nM |
359.43 |
N#Cc1ccnc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)c1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL2386567 |
OBDepict
H
2
N
O
H
H
N
S
N
CH
3
Cl
|
IC50 |
= |
0.8 |
nM |
383.9 |
Cn1cnc(-c2ccc([C@H]3C[C@@H]3C(N)=O)cc2)c1Sc1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2388902 |
cell-based format |
CHEMBL598556 |
OBDepict
CH
3
O
N
H
O
O
N
N
|
IC50 |
= |
0.8 |
nM |
369.47 |
CCCCCCCCOc1ccc(NC(=O)O/N=C/c2cccnc2)cc1 |
Homo sapiens |
CHEMBL1068137 |
cell-based format |
CHEMBL272038 |
OBDepict
N
O
N
O
O
|
Ki |
= |
0.85 |
nM |
318.33 |
N#Cc1cnc(C(=O)CCc2ccc(Oc3ccccc3)cc2)o1 |
Homo sapiens |
CHEMBL949089 |
cell-based format |
CHEMBL2326177 |
OBDepict
F
N
S
N
N
NH
O
N
O
CH
3
CH
3
|
IC50 |
= |
0.86 |
nM |
401.47 |
Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C |
Homo sapiens |
CHEMBL2327495 |
cell-based format |
CHEMBL220784 |
OBDepict
H
3
C
O
O
O
N
O
|
Ki |
= |
0.9 |
nM |
315.37 |
COC(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1 |
Homo sapiens |
CHEMBL914372 |
assay format |
CHEMBL388599 |
OBDepict
Cl
O
N
O
N
|
Ki |
= |
0.9 |
nM |
368.86 |
O=C(CCCCCCc1cccc(Cl)c1)c1ncc(-c2ccccn2)o1 |
Homo sapiens |
CHEMBL938648 |
single protein format |
CHEMBL4079093 |
OBDepict
O
O
NH
N
N
Cl
Cl
ClH
|
IC50 |
= |
0.9 |
nM |
534.92 |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4008737 |
cell-based format |
CHEMBL469198 |
OBDepict
O
O
N
N
N
|
Ki |
= |
0.92 |
nM |
335.41 |
O=C(CCCCCCc1ccccc1)c1nc(-c2ccccn2)no1 |
Homo sapiens |
CHEMBL970758 |
cell-based format |