molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
2.2 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3820669 |
single protein format |
CHEMBL1214929 |
OBDepict
H
2
N
HN
N
N
N
|
IC50 |
= |
7.0 |
nM |
265.32 |
NCCNc1nc(-c2ccncc2)cc2cnccc12 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL1082821 |
OBDepict
O
NH
H
N
H
H
Cl
Cl
N
O
H
|
IC50 |
= |
14.0 |
nM |
402.28 |
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1CNC[C@H]1c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL1120085 |
single protein format |
CHEMBL2147538 |
OBDepict
H
3
C
H
2
N
CH
3
NH
N
N
N
|
IC50 |
= |
17.0 |
nM |
293.37 |
CC(C)(N)CNc1nc(-c2ccncc2)cc2cnccc12 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL1990482 |
OBDepict
NH
2
O
N
N
H
N
|
Ki |
= |
30.0 |
nM |
238.25 |
NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 |
Homo sapiens |
CHEMBL4628248 |
single protein format |
CHEMBL3338837 |
OBDepict
H
3
C
H
2
N
CH
3
NH
N
N
N
N
|
IC50 |
= |
58.0 |
nM |
294.36 |
CC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL1990482 |
OBDepict
NH
2
O
N
N
H
N
|
IC50 |
= |
64.0 |
nM |
238.25 |
NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 |
Homo sapiens |
CHEMBL4628248 |
single protein format |
CHEMBL1605605 |
OBDepict
H
NH
2
CH
3
H
H
N
H
O
N
ClH
ClH
|
IC50 |
= |
70.0 |
nM |
320.26 |
C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1.Cl.Cl |
Homo sapiens |
CHEMBL1117933 |
single protein format |
CHEMBL4249925 |
OBDepict
O
N
H
S
N
N
H
S
N
O
O
CH
3
H
N
|
Ki |
= |
77.0 |
nM |
427.51 |
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 |
Homo sapiens |
CHEMBL4235421 |
single protein format |
CHEMBL4647033 |
OBDepict
Br
N
O
H
2
N
N
H
N
|
Ki |
= |
80.0 |
nM |
317.15 |
NC(=O)c1cc(Br)cc2[nH]c(-c3ccncc3)nc12 |
Homo sapiens |
CHEMBL4628248 |
single protein format |
CHEMBL1084892 |
OBDepict
H
3
C
NH
NH
O
Cl
N
O
H
|
IC50 |
= |
110.0 |
nM |
341.8 |
CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 |
Homo sapiens |
CHEMBL1117933 |
single protein format |
CHEMBL4647033 |
OBDepict
Br
N
O
H
2
N
N
H
N
|
IC50 |
= |
170.0 |
nM |
317.15 |
NC(=O)c1cc(Br)cc2[nH]c(-c3ccncc3)nc12 |
Homo sapiens |
CHEMBL4628248 |
single protein format |
CHEMBL1945559 |
OBDepict
N
HN
N
O
CH
3
HN
Cl
Cl
|
IC50 |
= |
300.0 |
nM |
363.25 |
Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O |
Homo sapiens |
CHEMBL1947862 |
single protein format |
CHEMBL1085141 |
OBDepict
O
N
H
NH
2
Cl
N
O
H
|
IC50 |
= |
510.0 |
nM |
327.77 |
NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 |
Homo sapiens |
CHEMBL1117933 |
single protein format |
CHEMBL559147 |
OBDepict
H
NH
2
CH
3
H
H
N
H
O
N
|
IC50 |
= |
600.0 |
nM |
247.34 |
C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 |
Homo sapiens |
CHEMBL772574 |
single protein format |
CHEMBL3338838 |
OBDepict
H
N
N
N
N
N
H
N
NH
2
CH
3
H
3
C
|
IC50 |
= |
742.0 |
nM |
333.4 |
CC(C)(N)CNc1nc(-c2ccc3[nH]ncc3c2)nc2cnccc12 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL600852 |
OBDepict
O
N
H
HN
O
NH
2
N
H
O
HN
|
IC50 |
= |
770.0 |
nM |
443.51 |
NC(=O)c1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1 |
Homo sapiens |
CHEMBL1066162 |
single protein format |
CHEMBL38380 |
OBDepict
O
S
N
O
HN
N
|
IC50 |
= |
780.0 |
nM |
291.38 |
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 |
Homo sapiens |
CHEMBL1066162 |
single protein format |
CHEMBL3338841 |
OBDepict
H
N
N
N
N
NH
|
IC50 |
= |
920.0 |
nM |
329.41 |
c1ccc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)cc2c1 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL3338842 |
OBDepict
NH
2
HN
N
N
N
N
H
|
IC50 |
= |
951.0 |
nM |
304.36 |
NCCNc1nc(-c2ccc3[nH]ncc3c2)nc2ccccc12 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL3338839 |
OBDepict
H
N
N
N
N
N
N
NH
|
IC50 |
= |
974.0 |
nM |
331.38 |
c1cc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2cn1 |
Homo sapiens |
CHEMBL3387551 |
single protein format |
CHEMBL3338840 |
OBDepict
H
N
N
N
N
N
HN
|
IC50 |
= |
995.0 |
nM |
330.4 |
c1ccc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2c1 |
Homo sapiens |
CHEMBL3387551 |
single protein format |