molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3953504 |
|
IC50 |
< |
0.1 |
nM |
466.57 |
CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(SC(C)C)c(C#N)cn1)CCC2 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3948579 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
S
|
IC50 |
= |
0.1 |
nM |
509.59 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCSCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3912731 |
OBDepict
O
N
N
NH
O
N
N
N
H
Cl
S
O
O
H
3
C
H
3
C
|
IC50 |
= |
0.2 |
nM |
515.0 |
CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1Cl |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4786195 |
OBDepict
CH
3
O
O
N
HN
N
N
O
N
O
N
O
H
N
CH
3
H
3
C
|
IC50 |
= |
0.2 |
nM |
521.58 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3968338 |
OBDepict
CH
3
O
O
H
3
C
H
N
N
H
N
N
O
N
O
N
O
O
H
CH
3
|
IC50 |
= |
0.2 |
nM |
508.54 |
COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4C(=O)OC[C@@H]4C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3912896 |
OBDepict
CH
3
O
N
H
N
N
H
N
N
O
N
O
N
O
O
|
IC50 |
= |
0.2 |
nM |
465.47 |
COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3915180 |
OBDepict
N
N
O
HN
O
N
O
N
O
|
IC50 |
= |
0.3 |
nM |
393.4 |
N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OCC1CCO1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3924363 |
OBDepict
OH
N
O
H
3
C
N
O
N
HN
O
N
O
N
CH
3
CH
3
|
IC50 |
= |
0.3 |
nM |
466.5 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CO)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3946444 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
CH
3
O
O
H
3
C
|
IC50 |
= |
0.3 |
nM |
495.54 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3938786 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
H
H
3
C
O
|
IC50 |
= |
0.3 |
nM |
507.55 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COC[C@@H]4C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3968334 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
O
|
IC50 |
= |
0.4 |
nM |
493.52 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4796410 |
OBDepict
O
N
N
N
CH
3
N
H
O
O
CH
3
N
NH
N
H
3
C
CH
3
|
IC50 |
= |
0.4 |
nM |
449.52 |
CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NC(C)C)c(C#N)cn1)CCC2 |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4744686 |
OBDepict
H
2
C
NH
O
N
H
CH
3
N
N
N
N
H
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
0.4 |
nM |
551.43 |
C=CC(=O)Nc1cccc(C)c1Nc1cc(-c2cccnc2Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL4703347 |
single protein format |
CHEMBL3922033 |
OBDepict
O
N
N
N
H
3
C
HN
O
O
H
3
C
N
N
H
N
O
F
F
F
|
IC50 |
= |
0.4 |
nM |
519.48 |
CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC(F)(F)F)c(C#N)cn1)CCC2 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3975745 |
OBDepict
O
N
N
N
CH
3
N
H
O
O
N
N
CH
3
H
3
C
O
N
CH
3
CH
3
|
IC50 |
= |
0.4 |
nM |
493.57 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3701239 |
OBDepict
CH
N
O
H
N
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
0.5 |
nM |
416.44 |
C#CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL3707934 |
single protein format |
CHEMBL4754106 |
OBDepict
CH
3
O
O
N
HN
N
N
O
N
O
N
O
H
N
CH
3
H
3
C
|
IC50 |
= |
0.6 |
nM |
521.58 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4110949 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
H
H
3
C
O
|
IC50 |
= |
0.6 |
nM |
507.55 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4C(=O)COC[C@H]4C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4111721 |
OBDepict
H
3
C
O
O
H
3
C
H
N
HN
N
N
O
N
O
N
O
N
H
3
C
|
IC50 |
= |
0.6 |
nM |
521.58 |
COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3955196 |
OBDepict
CH
3
O
N
H
N
NH
N
N
O
N
H
CH
3
O
N
O
N
H
3
C
|
IC50 |
= |
0.6 |
nM |
520.59 |
COCCNc1cc(NC(=O)N2c3nc(C=O)c(CN4CCN(C)CC4=O)cc3CC[C@@H]2C)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4764394 |
OBDepict
O
N
N
N
NH
O
O
N
O
N
CH
3
H
3
C
|
IC50 |
= |
0.7 |
nM |
462.51 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3959971 |
OBDepict
N
N
O
N
H
O
N
O
N
O
|
IC50 |
= |
0.7 |
nM |
393.4 |
N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OC1CCOC1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3973588 |
OBDepict
O
N
N
N
H
O
N
O
N
H
3
C
CH
3
|
IC50 |
= |
0.7 |
nM |
365.39 |
CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3940110 |
OBDepict
O
N
N
N
NH
O
H
CH
3
O
N
N
H
3
C
O
N
H
3
C
CH
3
|
IC50 |
= |
0.7 |
nM |
505.58 |
CC(C)Oc1cc(NC(=O)N2c3nc(C=O)c(CN4CCN(C)CC4=O)cc3CC[C@@H]2C)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3948578 |
OBDepict
O
N
N
N
HN
O
O
N
N
H
3
C
N
H
N
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
490.57 |
CC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3924265 |
OBDepict
O
N
N
N
HN
O
O
N
N
H
3
C
O
N
CH
3
CH
3
|
IC50 |
= |
0.7 |
nM |
491.55 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4758832 |
OBDepict
O
N
N
N
S
H
3
C
HN
O
O
O
H
3
C
N
O
N
CH
3
CH
3
|
IC50 |
= |
0.8 |
nM |
486.55 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4107472 |
OBDepict
CH
3
O
NH
N
HN
N
N
O
N
O
N
O
H
OH
|
IC50 |
= |
0.8 |
nM |
493.52 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](O)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3927056 |
OBDepict
Cl
HO
O
N
N
H
N
N
O
N
O
OH
|
IC50 |
= |
0.8 |
nM |
459.89 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1OCC(O)CCCl |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4115011 |
OBDepict
N
N
N
H
N
H
H
H
H
N
O
OH
H
N
O
OH
|
IC50 |
= |
0.8 |
nM |
476.54 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CO |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3935951 |
OBDepict
CH
3
O
NH
N
HN
N
N
O
N
O
N
O
H
OH
|
IC50 |
= |
0.9 |
nM |
493.52 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](O)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4791610 |
OBDepict
CH
3
O
O
N
N
H
N
N
O
N
O
N
CH
3
O
N
H
3
C
CH
3
|
IC50 |
= |
0.9 |
nM |
509.57 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4742811 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
F
F
|
IC50 |
= |
0.9 |
nM |
430.42 |
COCCNc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4745780 |
OBDepict
CH
3
O
HN
N
N
H
N
N
O
N
O
N
O
CH
3
CH
3
|
IC50 |
= |
0.9 |
nM |
479.54 |
CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4745615 |
OBDepict
CH
3
O
O
N
HN
N
N
O
N
O
N
O
H
N
H
3
C
CH
3
|
IC50 |
= |
0.9 |
nM |
521.58 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](N(C)C)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3959290 |
OBDepict
CH
2
N
H
O
NH
O
N
H
3
C
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
547.4 |
C=CC(=O)Nc1cccc(OC)c1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL4439119 |
OBDepict
O
N
N
N
HN
O
O
O
N
N
H
N
H
H
O
CH
3
|
IC50 |
= |
1.0 |
nM |
533.59 |
CO[C@@H]1CCC[C@H]1Nc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL4457168 |
OBDepict
O
N
N
N
NH
O
O
H
O
N
H
3
C
HN
N
H
O
|
IC50 |
= |
1.0 |
nM |
519.56 |
CO[C@@H]1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N[C@@H]4CCOC4)c(C#N)cn2)CCC3)C1=O |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL3940039 |
OBDepict
O
N
N
O
NH
O
N
O
N
CH
3
H
3
C
|
IC50 |
= |
1.0 |
nM |
435.48 |
CC(C)Oc1cc(NC(=O)N2CCCc3cc(C4CCOC4)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3958828 |
OBDepict
CH
2
N
H
O
NH
Cl
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
551.82 |
C=CC(=O)Nc1cccc(Cl)c1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3927803 |
OBDepict
OH
N
CH
3
HN
N
H
O
N
CH
2
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
590.47 |
C=CC(=O)Nc1cc(N(C)CCO)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3922336 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
O
N
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
594.46 |
C=CC(=O)Nc1ccccc1Nc1cc(N(Cc2cccnc2)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3910442 |
OBDepict
CH
2
N
H
O
NH
F
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
535.36 |
C=CC(=O)Nc1cccc(F)c1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3940348 |
OBDepict
CH
2
N
H
O
NH
HO
CH
3
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
561.43 |
C=CC(=O)Nc1cc(C(C)O)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3957874 |
OBDepict
CH
2
N
H
O
NH
N
N
H
3
C
CH
3
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
574.47 |
C=CC(=O)Nc1cc(CN(C)C)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3932109 |
OBDepict
CH
2
N
H
O
NH
O
CH
3
N
CH
3
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
575.45 |
C=CC(=O)Nc1cc(C(C)OC)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3892342 |
OBDepict
HC
NH
O
NH
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
515.36 |
C#CC(=O)Nc1ccccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3937272 |
OBDepict
CH
2
HN
O
N
H
N
N
CH
3
CH
3
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
588.5 |
C=CC(=O)Nc1cc(CCN(C)C)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3961994 |
OBDepict
CH
2
N
H
O
NH
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
517.37 |
C=CC(=O)Nc1ccccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3981394 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
O
N
Cl
Cl
H
3
C
CH
3
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
588.5 |
C=CC(=O)Nc1ccccc1Nc1cc(N(CCCN(C)C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3900286 |
OBDepict
CH
3
O
NH
N
H
O
N
H
2
C
N
N
CH
3
NH
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
561.43 |
C=CC(=O)Nc1cc(COC)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3913504 |
OBDepict
CH
2
HN
O
N
H
N
O
N
H
3
C
CH
3
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
588.45 |
C=CC(=O)Nc1cc(C(=O)N(C)C)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3959844 |
OBDepict
CH
2
N
H
O
NH
HO
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
547.4 |
C=CC(=O)Nc1cc(CO)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3967008 |
OBDepict
HO
O
NH
N
H
O
N
H
2
C
N
N
H
3
C
N
H
O
Cl
Cl
O
O
CH
3
CH
3
|
IC50 |
< |
1.0 |
nM |
577.43 |
C=CC(=O)Nc1cc(OCCO)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3960125 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
O
N
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
594.46 |
C=CC(=O)Nc1ccccc1Nc1cc(N(Cc2ccccn2)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3898484 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
3
C
CH
3
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
588.5 |
C=CC(=O)Nc1ccc(CCN(C)C)cc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3926533 |
OBDepict
CH
2
HN
O
N
H
N
N
N
NH
O
O
N
Cl
Cl
H
3
C
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
598.45 |
C=CC(=O)Nc1ccccc1Nc1cc(N(Cc2cc(C)no2)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3956014 |
OBDepict
CH
2
N
H
O
NH
H
3
C
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
531.4 |
C=CC(=O)Nc1cccc(C)c1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3912538 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
O
Cl
Cl
N
O
O
H
3
C
CH
3
|
IC50 |
< |
1.0 |
nM |
594.46 |
C=CC(=O)Nc1ccccc1Nc1cc(N(Cc2ccncc2)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3921678 |
OBDepict
CH
2
N
H
O
NH
H
2
N
CH
3
N
N
N
CH
3
N
H
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
560.44 |
C=CC(=O)Nc1cc(C(C)N)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3915751 |
OBDepict
CH
3
O
O
NH
N
H
O
N
H
2
C
N
N
CH
3
NH
O
Cl
Cl
O
O
H
3
C
H
3
C
|
IC50 |
< |
1.0 |
nM |
591.45 |
C=CC(=O)Nc1cc(OCCOC)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3889496 |
OBDepict
CH
3
N
N
HN
N
H
O
N
CH
2
N
N
CH
3
N
H
O
Cl
Cl
|
IC50 |
< |
1.0 |
nM |
569.5 |
C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)cccc2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL4756889 |
OBDepict
O
N
N
N
NH
O
O
CH
3
CH
3
CH
3
N
O
N
CH
3
H
3
C
|
IC50 |
= |
1.1 |
nM |
478.55 |
CC(=O)N(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(OC(C)C)c(C#N)cn1)CCC2)C(C)C |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3896282 |
OBDepict
O
N
N
N
H
O
N
O
N
H
3
C
CH
3
|
IC50 |
= |
1.1 |
nM |
351.37 |
CC(C)Oc1cc(NC(=O)N2CCc3ccc(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3945836 |
OBDepict
CH
3
O
N
H
N
N
H
N
N
O
N
O
N
N
|
IC50 |
= |
1.1 |
nM |
446.47 |
COCCNc1cc(NC(=O)N2CCCc3cc(-n4ccnc4)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3891494 |
OBDepict
N
N
O
NH
O
N
O
N
O
|
IC50 |
= |
1.1 |
nM |
407.43 |
N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OCC1CCCO1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3978835 |
OBDepict
OH
NH
N
NH
N
N
O
N
O
N
O
N
H
3
C
|
IC50 |
= |
1.2 |
nM |
492.54 |
CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NCCO)c(C#N)cn2)CCC3)C(=O)C1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4784921 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
CH
3
O
CH
3
H
3
C
|
IC50 |
= |
1.2 |
nM |
493.57 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3951896 |
OBDepict
N
N
O
HN
O
N
O
N
O
|
IC50 |
= |
1.2 |
nM |
421.46 |
N#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OCC1CCCCO1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3940572 |
OBDepict
N
N
N
N
H
N
O
CH
3
OH
N
O
|
IC50 |
= |
1.2 |
nM |
420.47 |
CC1(O)CCN(c2cc(NC(=O)N3CCCc4ccc(C=O)nc43)ncc2C#N)CC1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3904238 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
S
O
O
|
IC50 |
= |
1.2 |
nM |
541.59 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCS(=O)(=O)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4764678 |
OBDepict
H
3
C
O
O
N
HN
N
N
O
N
O
N
F
F
F
|
IC50 |
= |
1.2 |
nM |
546.55 |
COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)(F)F)CC4)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4518346 |
OBDepict
CH
3
O
NH
N
HN
N
N
O
N
O
N
O
H
O
H
3
C
|
IC50 |
= |
1.2 |
nM |
507.55 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](OC)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL3913839 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
F
F
|
IC50 |
= |
1.2 |
nM |
527.58 |
COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3908044 |
OBDepict
H
3
C
O
O
N
N
H
N
N
O
N
O
|
IC50 |
= |
1.3 |
nM |
381.39 |
COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4533697 |
OBDepict
H
3
C
O
O
H
3
C
H
N
HN
N
N
O
N
O
N
O
O
|
IC50 |
= |
1.3 |
nM |
508.54 |
COC[C@@H](C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCOCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL4778828 |
OBDepict
H
3
C
O
O
N
HN
N
N
O
N
O
N
N
O
H
3
C
|
IC50 |
= |
1.3 |
nM |
507.55 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(=O)C4)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4562284 |
OBDepict
O
N
N
N
NH
O
O
O
N
NH
N
H
O
|
IC50 |
= |
1.3 |
nM |
519.56 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc32)cc1N[C@@H]1CCOC1 |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL4759211 |
OBDepict
CH
3
O
HN
N
N
H
N
N
O
N
O
N
CH
3
O
CH
3
|
IC50 |
= |
1.3 |
nM |
465.51 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4862576 |
OBDepict
CH
3
O
O
N
CH
3
N
N
H
N
O
CH
3
CH
3
N
N
H
3
C
|
IC50 |
= |
1.4 |
nM |
462.55 |
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)c(=O)n3c2)c1 |
Homo sapiens |
CHEMBL4838118 |
single protein format |
CHEMBL4789692 |
OBDepict
CH
3
O
O
N
NH
N
N
O
N
O
N
O
H
3
C
CH
3
N
CH
3
|
IC50 |
= |
1.4 |
nM |
535.61 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4C(=O)CN(C)CC4(C)C)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3974651 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
HN
|
IC50 |
= |
1.4 |
nM |
492.54 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCNCC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4532389 |
OBDepict
O
N
N
N
NH
O
O
O
N
NH
N
H
O
|
IC50 |
= |
1.4 |
nM |
519.56 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc32)cc1N[C@H]1CCOC1 |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL4758510 |
OBDepict
H
3
C
O
NH
H
3
C
H
N
HN
N
N
O
N
O
N
O
N
H
3
C
|
IC50 |
= |
1.5 |
nM |
520.59 |
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4475216 |
OBDepict
H
3
C
O
NH
H
3
C
H
N
HN
N
N
O
N
O
N
O
O
|
IC50 |
= |
1.5 |
nM |
521.58 |
COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL4752511 |
OBDepict
CH
3
O
O
N
HN
N
N
O
N
O
N
O
H
N
H
3
C
CH
3
|
IC50 |
= |
1.6 |
nM |
521.58 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](N(C)C)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL4446965 |
OBDepict
CH
3
O
NH
N
HN
N
N
O
N
O
N
O
H
O
H
3
C
|
IC50 |
= |
1.7 |
nM |
507.55 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CC[C@H](OC)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4339977 |
single protein format |
CHEMBL3964682 |
OBDepict
O
N
N
HO
N
H
O
N
N
H
N
O
|
IC50 |
= |
1.7 |
nM |
422.45 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1NC1CCOC1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL4438578 |
OBDepict
CH
3
O
S
H
3
C
N
H
2
N
N
N
N
S
O
O
H
2
C
|
IC50 |
= |
1.7 |
nM |
455.57 |
C=CS(=O)(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4s3)c3c(N)ncnc32)C1 |
Homo sapiens |
CHEMBL4382840 |
single protein format |
CHEMBL3701266 |
OBDepict
CH
2
N
O
N
N
N
H
2
N
O
O
H
3
C
CH
3
|
IC50 |
= |
1.7 |
nM |
405.46 |
C=CC(=O)N1CC(N2C=C(C#Cc3cc(OC)cc(OC)c3)C3C(N)=NC=NC32)C1 |
Homo sapiens |
CHEMBL3707934 |
single protein format |
CHEMBL3986875 |
OBDepict
N
N
NH
HN
N
O
O
N
O
OH
|
IC50 |
= |
1.8 |
nM |
450.5 |
N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1NCC1CCCOC1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3923150 |
OBDepict
O
N
N
N
NH
O
N
N
O
CH
3
O
N
CH
3
H
3
C
|
IC50 |
= |
1.9 |
nM |
505.58 |
CC(=O)N1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(OC(C)C)c(C#N)cn2)CCC3)CC1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3931083 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
N
HO
H
3
C
|
IC50 |
= |
1.9 |
nM |
522.57 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)C(O)C4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3908979 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
N
H
3
C
|
IC50 |
= |
1.9 |
nM |
506.57 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3944778 |
OBDepict
O
N
N
N
HN
O
O
N
N
CH
3
HN
N
|
IC50 |
= |
1.9 |
nM |
514.59 |
CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC45CC(C4)C5)c(C#N)cn2)CCC3)C(=O)C1 |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3960759 |
OBDepict
H
3
C
O
NH
N
HN
N
N
O
N
O
N
O
H
3
C
N
H
3
C
CH
3
|
IC50 |
= |
2.0 |
nM |
522.61 |
COCCNc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |
CHEMBL3948664 |
OBDepict
H
3
C
N
N
NH
N
H
O
N
H
2
C
N
N
H
3
C
N
H
O
Cl
O
O
CH
3
CH
3
|
IC50 |
= |
2.0 |
nM |
595.1 |
C=CC(=O)Nc1cc(N2CCN(CC)CC2)ccc1Nc1cc(N(C)C(=O)Nc2cc(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL3967316 |
OBDepict
CH
2
HN
O
N
H
N
N
N
N
H
O
Cl
Cl
O
O
H
3
C
CH
3
|
IC50 |
= |
2.0 |
nM |
593.47 |
C=CC(=O)Nc1ccccc1Nc1cc(N(Cc2ccccc2)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1 |
Homo sapiens |
CHEMBL3889129 |
single protein format |
CHEMBL4781882 |
OBDepict
CH
3
O
O
N
NH
N
N
O
N
O
Br
|
IC50 |
= |
2.0 |
nM |
460.29 |
COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL4723314 |
cell-based format |
CHEMBL3973674 |
OBDepict
H
3
C
O
O
N
HN
N
N
O
N
O
N
O
N
H
3
C
|
IC50 |
= |
2.0 |
nM |
507.55 |
COCCOc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N |
Homo sapiens |
CHEMBL3888056 |
cell-based format |