molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1673048 |
|
IC50 |
= |
1.0 |
nM |
501.59 |
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4646447 |
OBDepict
H
3
C
N
N
N
O
N
N
H
CH
3
N
H
S
O
O
CH
3
|
IC50 |
= |
2.0 |
nM |
424.49 |
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(NS(C)(=O)=O)cc3)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4643632 |
OBDepict
CH
3
O
NH
N
H
O
N
N
N
N
CH
3
N
CH
3
H
3
C
O
|
IC50 |
= |
2.0 |
nM |
515.62 |
CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4634326 |
OBDepict
CH
3
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
CH
3
O
|
IC50 |
= |
3.0 |
nM |
473.58 |
CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4636475 |
OBDepict
H
3
C
O
N
H
HN
S
N
N
O
O
H
3
C
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
3.0 |
nM |
454.51 |
COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4645267 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
O
|
IC50 |
= |
4.0 |
nM |
535.65 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1ccccc1)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4640016 |
OBDepict
H
3
C
O
N
H
NH
O
N
N
N
N
H
3
C
N
H
3
C
O
F
F
F
|
IC50 |
= |
10.0 |
nM |
569.59 |
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673041 |
OBDepict
H
3
C
O
N
H
N
N
N
O
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
11.0 |
nM |
446.51 |
COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673039 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
H
3
C
O
|
IC50 |
= |
11.0 |
nM |
459.55 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4636072 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
CH
3
O
|
IC50 |
= |
14.0 |
nM |
499.62 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCC1)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4639395 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
O
F
F
F
|
IC50 |
= |
17.0 |
nM |
527.55 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673053 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
CH
3
O
|
IC50 |
= |
26.0 |
nM |
513.65 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4648947 |
OBDepict
CH
3
N
H
3
C
N
N
O
N
N
H
H
3
C
O
CH
3
N
N
H
3
C
|
IC50 |
= |
32.0 |
nM |
501.64 |
CCC(C)N1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4644273 |
OBDepict
CH
3
O
N
H
N
H
S
N
N
O
O
CH
3
N
N
H
3
C
CH
3
O
|
IC50 |
= |
36.0 |
nM |
468.54 |
CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(NS(C)(=O)=O)cc3OC)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4634025 |
OBDepict
HO
N
CH
3
N
H
N
N
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
37.0 |
nM |
444.54 |
Cc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673042 |
OBDepict
H
3
C
O
N
H
N
N
N
HN
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
52.0 |
nM |
445.53 |
COc1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4647792 |
OBDepict
CH
3
O
HN
N
O
N
N
N
N
N
H
3
C
CH
3
O
N
CH
3
|
IC50 |
= |
58.0 |
nM |
570.7 |
COc1cc(C(=O)N2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673052 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
H
3
C
CH
3
O
|
IC50 |
= |
71.0 |
nM |
487.61 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C(C)C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4641263 |
OBDepict
H
3
C
O
N
H
HN
S
N
N
O
O
H
3
C
N
N
H
3
C
O
F
F
F
|
IC50 |
= |
80.0 |
nM |
522.51 |
COc1cc(NS(C)(=O)=O)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673040 |
OBDepict
H
3
C
O
N
H
N
N
N
N
HO
N
H
3
C
H
3
C
O
|
IC50 |
= |
97.0 |
nM |
460.54 |
COc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4648454 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
N
H
3
C
H
3
C
O
N
H
3
C
|
IC50 |
= |
104.0 |
nM |
542.69 |
COc1cc(N2CCN(C3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4649424 |
OBDepict
HO
N
N
H
N
N
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
109.0 |
nM |
430.51 |
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCC(O)CC4)cc3)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL3904942 |
OBDepict
H
3
C
N
N
N
O
N
N
H
H
3
C
S
O
O
H
2
N
|
IC50 |
= |
111.0 |
nM |
410.46 |
CN1C(=O)c2ccccc2N(C)c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4646882 |
OBDepict
H
3
C
O
N
H
NH
O
N
N
N
N
H
3
C
N
H
3
C
CH
3
H
3
C
O
|
IC50 |
= |
126.0 |
nM |
529.65 |
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C(C)C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673051 |
OBDepict
CH
3
O
N
H
N
N
N
N
N
H
3
C
N
CH
3
H
3
C
O
|
IC50 |
= |
154.0 |
nM |
473.58 |
CCN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
173.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328382 |
single protein format |
CHEMBL1673047 |
OBDepict
CH
3
N
N
N
O
N
N
H
H
3
C
S
O
O
NH
2
|
IC50 |
= |
187.0 |
nM |
410.46 |
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21 |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4645722 |
OBDepict
H
3
C
N
N
O
N
H
CH
3
H
3
C
N
N
N
N
H
3
C
O
F
F
F
|
IC50 |
= |
214.0 |
nM |
555.61 |
CC(C)Oc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2CC(F)(F)F |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4649318 |
OBDepict
H
3
C
O
N
H
N
N
N
N
N
H
3
C
N
H
3
C
CH
3
H
3
C
O
|
IC50 |
= |
411.0 |
nM |
487.61 |
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C(C)C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL4632948 |
OBDepict
HO
N
O
N
H
CH
3
H
3
C
N
N
N
N
H
3
C
H
3
C
O
|
IC50 |
= |
510.0 |
nM |
488.59 |
CC(C)Oc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |
CHEMBL1673046 |
OBDepict
CH
3
O
N
H
N
N
N
N
HO
N
H
3
C
H
3
C
O
|
IC50 |
= |
716.0 |
nM |
474.57 |
CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C |
Homo sapiens |
CHEMBL4612962 |
assay format |