molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3734012 |
|
Ki |
= |
2.0 |
nM |
537.52 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731943 |
OBDepict
N
N
O
N
O
N
O
N
H
H
3
C
H
3
C
H
F
F
F
|
Ki |
= |
2.0 |
nM |
497.48 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3733288 |
OBDepict
H
3
C
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
N
ClH
|
Ki |
= |
2.0 |
nM |
573.98 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3728036 |
OBDepict
CH
N
N
N
H
O
CH
3
H
N
O
F
F
F
F
N
|
Ki |
= |
2.0 |
nM |
537.52 |
C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3899144 |
OBDepict
N
N
O
N
O
N
O
N
H
CH
3
CH
3
F
F
F
|
Ki |
= |
2.0 |
nM |
497.48 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3734028 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
Cl
N
|
Ki |
= |
3.0 |
nM |
495.99 |
COn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731703 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
Cl
N
ClH
|
Ki |
= |
3.0 |
nM |
532.45 |
COn1c(N[C@@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3964982 |
OBDepict
N
F
N
O
N
O
N
N
NH
CH
3
O
F
F
F
|
Ki |
= |
3.0 |
nM |
570.55 |
CC(Nc1nc2c(c(=O)n1N1CCOCC1)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3909684 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
F
F
F
CH
3
H
3
C
|
Ki |
= |
4.0 |
nM |
500.52 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729468 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
CH
3
CH
3
|
Ki |
= |
4.0 |
nM |
500.52 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3730970 |
OBDepict
CH
N
N
N
H
O
CH
3
H
N
O
F
F
F
F
N
ClH
|
Ki |
= |
5.0 |
nM |
559.95 |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734004 |
OBDepict
HC
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
N
|
Ki |
= |
5.0 |
nM |
523.49 |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729087 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
N
|
Ki |
= |
5.0 |
nM |
529.49 |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL4114820 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
N
|
Ki |
= |
5.0 |
nM |
529.49 |
CCOn1c(N[C@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729902 |
OBDepict
HC
N
N
N
H
O
H
3
C
H
N
O
F
F
F
N
|
Ki |
= |
5.0 |
nM |
519.53 |
C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3898373 |
OBDepict
HC
N
N
H
N
O
N
H
3
C
N
O
F
F
F
N
|
Ki |
= |
5.0 |
nM |
520.52 |
C#CCCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3728492 |
OBDepict
F
F
F
N
O
N
O
N
N
N
H
CH
3
H
3
C
CH
3
H
F
F
F
ClH
|
Ki |
= |
6.0 |
nM |
575.94 |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1c(F)cc(F)cc1F)CC2)c1ccc(C(F)(F)F)cc1.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3940821 |
OBDepict
F
F
F
N
O
N
O
N
N
N
H
H
3
C
CH
3
N
H
3
C
F
F
F
|
Ki |
= |
6.0 |
nM |
540.47 |
CN(Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1c(F)cc(F)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3727469 |
OBDepict
N
O
N
O
N
O
N
O
N
H
CH
3
CH
3
H
F
F
F
|
Ki |
= |
6.0 |
nM |
527.5 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3727434 |
OBDepict
N
F
N
O
N
O
N
N
N
H
CH
3
H
F
F
F
|
Ki |
= |
6.0 |
nM |
554.55 |
C[C@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3923696 |
OBDepict
N
O
N
O
N
O
N
O
N
H
CH
3
CH
3
F
F
F
|
Ki |
= |
6.0 |
nM |
527.5 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL4109865 |
OBDepict
N
F
N
O
N
O
N
N
N
H
CH
3
H
F
F
F
|
Ki |
= |
6.0 |
nM |
554.55 |
C[C@@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3728379 |
OBDepict
CH
2
N
O
N
O
N
O
N
H
H
3
C
CH
3
H
F
F
F
|
Ki |
= |
6.0 |
nM |
498.51 |
C=Cc1ccc(C(=O)N2CCc3nc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)cc1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734011 |
OBDepict
CH
3
N
N
NH
O
CH
3
H
N
O
F
F
F
N
N
|
Ki |
= |
6.0 |
nM |
560.58 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3936584 |
OBDepict
CH
3
O
N
O
H
3
C
N
O
N
O
N
O
N
H
H
3
C
CH
3
F
F
F
|
Ki |
= |
7.0 |
nM |
533.51 |
COc1ccc(C(=O)N2CCc3nc(NC(C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)c(OC)n1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3733353 |
OBDepict
CH
3
O
N
O
H
3
C
N
O
N
O
N
O
N
H
H
3
C
CH
3
H
F
F
F
|
Ki |
= |
7.0 |
nM |
533.51 |
COc1ccc(C(=O)N2CCc3nc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)c(OC)n1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3731182 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
N
F
F
F
|
Ki |
= |
8.0 |
nM |
523.52 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cnc3ccccc3c1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734013 |
OBDepict
CH
3
N
N
N
H
O
CH
3
H
N
O
F
F
F
N
|
Ki |
= |
8.0 |
nM |
519.53 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3734017 |
OBDepict
H
3
C
N
N
N
H
O
H
3
C
H
N
O
F
F
F
NH
O
|
Ki |
= |
8.0 |
nM |
563.58 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731267 |
OBDepict
CH
3
N
N
N
H
O
CH
3
H
N
O
F
F
F
N
ClH
|
Ki |
= |
8.0 |
nM |
555.99 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3731543 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
S
F
F
F
Cl
|
Ki |
= |
8.0 |
nM |
553.01 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)CSc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3733126 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
O
F
F
F
Cl
|
Ki |
= |
8.0 |
nM |
536.94 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734006 |
OBDepict
N
F
N
O
N
O
N
N
N
H
H
3
C
CH
3
H
3
C
H
F
F
F
|
Ki |
= |
8.0 |
nM |
528.51 |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3923252 |
OBDepict
N
F
N
O
N
O
N
O
N
H
H
3
C
H
3
C
F
F
F
|
Ki |
= |
8.0 |
nM |
529.49 |
CCC(Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3899508 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
F
F
F
F
H
3
C
|
Ki |
= |
8.0 |
nM |
504.48 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(F)c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3949780 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
N
O
N
F
F
F
|
Ki |
= |
8.0 |
nM |
523.52 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cnc3ccccc3c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3728414 |
OBDepict
N
F
N
O
N
O
N
N
N
H
CH
3
H
3
C
CH
3
H
F
F
F
ClH
|
Ki |
= |
8.0 |
nM |
564.97 |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3914667 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
N
O
O
F
F
F
Cl
|
Ki |
= |
8.0 |
nM |
536.94 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731217 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
CH
3
|
Ki |
= |
8.0 |
nM |
504.48 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(F)c1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3730694 |
OBDepict
N
F
N
O
N
O
N
O
HN
H
3
C
H
H
3
C
F
F
F
|
Ki |
= |
8.0 |
nM |
529.49 |
CC[C@H](Nc1nc2c(c(=O)n1OC)CN(C(=O)c1ccc(C#N)cc1F)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3969131 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
N
O
S
F
F
F
Cl
|
Ki |
= |
8.0 |
nM |
553.01 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)CSc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729644 |
OBDepict
HC
N
N
N
H
O
H
3
C
H
N
O
F
F
F
F
F
|
Ki |
= |
9.0 |
nM |
516.47 |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1c(F)cccc1F)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3733091 |
OBDepict
HC
N
N
N
H
O
H
3
C
H
N
O
F
F
F
N
|
Ki |
= |
9.0 |
nM |
505.5 |
C#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cccc(C#N)c1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3914606 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
S
F
F
F
N
|
Ki |
= |
9.0 |
nM |
529.54 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3987151 |
OBDepict
HC
N
N
N
H
O
N
H
3
C
N
O
F
F
F
N
|
Ki |
= |
9.0 |
nM |
506.49 |
C#CCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cccc(C#N)c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3733229 |
OBDepict
CH
3
O
N
O
N
O
N
O
N
H
CH
3
H
3
C
H
F
F
F
|
Ki |
= |
9.0 |
nM |
516.52 |
CCOc1ccc(C(=O)N2CCc3nc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)cc1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3728315 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
S
F
F
F
N
|
Ki |
= |
9.0 |
nM |
529.54 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3981932 |
OBDepict
HC
N
N
N
H
O
N
H
3
C
N
O
F
F
F
F
F
|
Ki |
= |
9.0 |
nM |
517.46 |
C#CCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1c(F)cccc1F)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3981437 |
OBDepict
CH
3
O
N
O
N
O
N
O
N
H
CH
3
H
3
C
F
F
F
|
Ki |
= |
9.0 |
nM |
516.52 |
CCOc1ccc(C(=O)N2CCc3nc(NC(C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731047 |
OBDepict
CH
N
N
NH
O
CH
3
H
N
O
F
F
F
N
N
|
Ki |
= |
9.0 |
nM |
560.58 |
C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3984831 |
OBDepict
CH
3
O
N
N
H
N
O
CH
3
N
O
F
F
F
O
O
|
Ki |
= |
10.0 |
nM |
530.5 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)OCCO3)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3732440 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
O
O
|
Ki |
= |
10.0 |
nM |
530.5 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)OCCO3)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3727443 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
F
F
F
H
3
C
|
Ki |
= |
10.0 |
nM |
492.52 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)s1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3967907 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
N
O
N
CH
3
F
F
F
O
|
Ki |
= |
10.0 |
nM |
515.49 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3occc3n1C)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731175 |
OBDepict
N
N
O
N
O
N
N
N
H
CH
3
H
F
F
F
|
Ki |
= |
10.0 |
nM |
536.56 |
C[C@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL4112975 |
OBDepict
N
N
O
N
O
N
N
N
H
CH
3
H
F
F
F
|
Ki |
= |
10.0 |
nM |
536.56 |
C[C@@H](Nc1nc2c(c(=O)n1N1CCCC1)CN(C(=O)c1ccc(C#N)cc1)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3732513 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
N
CH
3
F
F
F
O
|
Ki |
= |
10.0 |
nM |
515.49 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3occc3n1C)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3932587 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
S
F
F
F
H
3
C
|
Ki |
= |
10.0 |
nM |
492.52 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3734015 |
OBDepict
CH
3
N
N
NH
O
CH
3
H
N
O
F
F
F
O
N
|
Ki |
= |
10.0 |
nM |
561.56 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3727761 |
OBDepict
CH
3
N
N
NH
O
CH
3
H
N
O
F
F
F
O
N
ClH
|
Ki |
= |
10.0 |
nM |
598.03 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3733203 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
N
|
Ki |
= |
11.0 |
nM |
511.5 |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL4107694 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
N
|
Ki |
= |
11.0 |
nM |
511.5 |
CCOn1c(N[C@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3931930 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
N
O
N
F
F
F
Cl
|
Ki |
= |
12.0 |
nM |
533.94 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)/C=N/c1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3730415 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
O
F
F
F
Cl
|
Ki |
= |
12.0 |
nM |
546.93 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cc(Cl)ccc3o1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3732397 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
F
F
F
Cl
|
Ki |
= |
12.0 |
nM |
532.95 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)/C=C/c1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3954765 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
O
F
F
F
Cl
|
Ki |
= |
12.0 |
nM |
546.93 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cc(Cl)ccc3o1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3898727 |
OBDepict
CH
3
O
N
NH
N
O
N
CH
3
H
3
C
O
N
Cl
N
|
Ki |
= |
13.0 |
nM |
506.99 |
COn1c(NC(c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccn3n1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729755 |
OBDepict
H
3
C
O
N
N
N
H
O
H
N
CH
3
H
3
C
O
N
Cl
N
|
Ki |
= |
13.0 |
nM |
506.99 |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccn3n1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3943084 |
OBDepict
CH
3
O
O
N
O
N
O
N
O
N
H
H
3
C
CH
3
F
F
F
|
Ki |
= |
14.0 |
nM |
542.51 |
COc1ccc2oc(C(=O)N3CCc4nc(NC(C)c5ccc(C(F)(F)F)cc5)n(OC)c(=O)c4C3)cc2c1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3730213 |
OBDepict
H
3
C
O
O
N
O
N
O
N
O
N
H
CH
3
H
3
C
H
F
F
F
|
Ki |
= |
14.0 |
nM |
542.51 |
COc1ccc2oc(C(=O)N3CCc4nc(N[C@@H](C)c5ccc(C(F)(F)F)cc5)n(OC)c(=O)c4C3)cc2c1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734010 |
OBDepict
N
F
N
O
N
O
N
O
N
H
CH
3
CH
3
H
F
F
F
|
Ki |
= |
15.0 |
nM |
515.47 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3731855 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
F
F
F
Cl
|
Ki |
= |
15.0 |
nM |
512.94 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)s1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3728776 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
F
F
F
|
Ki |
= |
15.0 |
nM |
530.57 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3c(s1)=CCCC=3)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3729222 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
O
Cl
Cl
|
Ki |
= |
15.0 |
nM |
503.39 |
COn1c(N[C@H](C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3973187 |
OBDepict
CH
3
O
N
N
H
N
O
CH
3
N
O
O
Cl
Cl
|
Ki |
= |
15.0 |
nM |
503.39 |
COn1c(NC(C)c2ccc(Cl)cc2)nc2c(c1=O)CN(C(=O)COc1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3732204 |
OBDepict
N
F
N
O
N
O
N
O
N
H
H
3
C
H
3
C
H
F
F
F
ClH
|
Ki |
= |
15.0 |
nM |
551.93 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3898323 |
OBDepict
CH
3
O
N
N
H
N
O
CH
3
N
O
S
F
F
F
|
Ki |
= |
15.0 |
nM |
528.56 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3ccccc3s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3935945 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
S
F
F
F
Cl
|
Ki |
= |
15.0 |
nM |
512.94 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL4109270 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
F
F
F
O
F
F
F
|
Ki |
= |
16.0 |
nM |
556.46 |
COn1c(N[C@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3730582 |
OBDepict
H
3
C
N
N
N
H
O
H
3
C
H
N
O
F
F
F
Cl
ClH
|
Ki |
= |
16.0 |
nM |
565.42 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734014 |
OBDepict
CH
3
N
N
N
H
O
CH
3
H
N
O
F
F
F
Cl
|
Ki |
= |
16.0 |
nM |
528.96 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3729152 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
F
F
F
O
F
F
F
|
Ki |
= |
16.0 |
nM |
556.46 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3729890 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
N
CH
3
O
|
Ki |
= |
16.0 |
nM |
555.56 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3911682 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
F
F
F
N
H
3
C
O
|
Ki |
= |
16.0 |
nM |
555.56 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3727401 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
H
N
O
F
F
F
Cl
ClH
|
Ki |
= |
17.0 |
nM |
543.37 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734007 |
OBDepict
Cl
N
O
N
O
N
N
N
H
H
3
C
CH
3
H
3
C
H
F
F
F
|
Ki |
= |
17.0 |
nM |
519.96 |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3734009 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
Cl
|
Ki |
= |
17.0 |
nM |
506.91 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3727905 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
F
F
F
N
|
Ki |
= |
17.0 |
nM |
543.57 |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3734020 |
OBDepict
CH
3
N
N
N
H
O
CH
3
H
N
O
F
F
F
N
|
Ki |
= |
17.0 |
nM |
545.57 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3cccnc3c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL4113258 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
S
F
F
F
N
|
Ki |
= |
17.0 |
nM |
543.57 |
CCOn1c(N[C@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3728270 |
OBDepict
Cl
N
O
N
O
N
N
N
H
CH
3
H
3
C
CH
3
H
F
F
F
ClH
|
Ki |
= |
17.0 |
nM |
556.42 |
C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3950631 |
OBDepict
CH
3
O
Cl
N
O
N
O
N
O
N
H
H
3
C
H
3
C
F
F
F
|
Ki |
= |
18.0 |
nM |
536.94 |
COc1cc(Cl)ccc1C(=O)N1CCc2nc(NC(C)c3ccc(C(F)(F)F)cc3)n(OC)c(=O)c2C1 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3728601 |
OBDepict
CH
3
O
Cl
N
O
N
O
N
O
N
H
H
3
C
H
3
C
H
F
F
F
|
Ki |
= |
18.0 |
nM |
536.94 |
COc1cc(Cl)ccc1C(=O)N1CCc2nc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)n(OC)c(=O)c2C1 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3730705 |
OBDepict
CH
3
N
N
N
H
O
H
3
C
H
N
O
N
N
F
F
F
ClH
|
Ki |
= |
20.0 |
nM |
571.0 |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3ccccn3n1)CC2.Cl |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3729024 |
OBDepict
CH
3
O
N
N
N
H
O
H
3
C
H
N
O
N
N
F
F
F
H
3
C
S
|
Ki |
= |
20.0 |
nM |
558.59 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3938245 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
F
F
F
CH
3
Cl
|
Ki |
= |
20.0 |
nM |
520.94 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)c(C)c1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3915574 |
OBDepict
CH
3
O
N
N
N
H
O
CH
3
N
O
N
N
F
F
F
H
3
C
S
|
Ki |
= |
20.0 |
nM |
558.59 |
COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL4110090 |
OBDepict
CH
3
O
N
N
NH
O
CH
3
H
N
O
F
F
F
O
N
|
Ki |
= |
20.0 |
nM |
553.54 |
CCOn1c(N[C@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2 |
Homo sapiens |
CHEMBL3887681 |
cell-based format |
CHEMBL3732106 |
OBDepict
H
3
C
O
N
N
N
H
O
H
3
C
H
N
O
F
F
F
CH
3
Cl
|
Ki |
= |
20.0 |
nM |
520.94 |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(Cl)c(C)c1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |
CHEMBL3732584 |
OBDepict
CH
3
O
N
N
NH
O
CH
3
H
N
O
F
F
F
O
N
|
Ki |
= |
20.0 |
nM |
553.54 |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2 |
Homo sapiens |
CHEMBL3734209 |
cell-based format |