molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
1.24 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328605 |
single protein format |
CHEMBL1421 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
Cl
|
IC50 |
= |
5.0 |
nM |
488.02 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4859969 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
Cl
Cl
S
|
IC50 |
= |
15.0 |
nM |
514.46 |
Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4847716 |
OBDepict
OH
N
N
N
N
N
H
CH
3
N
S
N
H
O
CH
3
S
Cl
|
IC50 |
= |
40.0 |
nM |
494.05 |
Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)csc3C)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4867844 |
OBDepict
OH
N
N
N
N
N
H
CH
3
N
S
N
H
O
Cl
S
CH
3
|
IC50 |
= |
52.3 |
nM |
494.05 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4875238 |
OBDepict
H
3
C
N
N
N
N
N
H
CH
3
N
S
N
H
O
Cl
S
H
3
C
|
IC50 |
= |
60.0 |
nM |
464.02 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(C)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4865466 |
OBDepict
CH
3
N
O
N
N
N
NH
H
3
C
N
S
N
H
O
Cl
S
CH
3
|
IC50 |
= |
150.0 |
nM |
492.03 |
CC(=O)N1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)csc4Cl)s3)nc(C)n2)CC1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4855726 |
OBDepict
OH
N
N
HN
N
N
N
H
CH
3
N
S
NH
O
Cl
H
3
C
N
|
IC50 |
= |
250.0 |
nM |
504.02 |
Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(NN2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4857583 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
H
3
C
N
|
IC50 |
= |
340.0 |
nM |
468.59 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cncc3C)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4851745 |
OBDepict
CH
3
N
N
N
N
N
H
CH
3
N
S
N
H
O
Cl
CH
3
N
|
IC50 |
= |
493.0 |
nM |
458.98 |
Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(N2CCN(C)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4869199 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
Cl
N
|
IC50 |
= |
677.0 |
nM |
489.01 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cncc3Cl)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4850733 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
N
H
3
C
O
|
IC50 |
= |
800.0 |
nM |
458.55 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)noc3C)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4878274 |
OBDepict
HO
N
N
N
N
N
H
CH
3
N
S
N
H
O
H
3
C
H
3
C
N
|
IC50 |
= |
867.0 |
nM |
468.59 |
Cc1nc(Nc2ncc(C(=O)Nc3c(C)ccnc3C)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |
CHEMBL4872654 |
OBDepict
OH
N
N
N
N
N
H
CH
3
N
S
N
H
O
CH
3
N
|
IC50 |
= |
987.0 |
nM |
454.56 |
Cc1nc(Nc2ncc(C(=O)Nc3cccnc3C)s2)cc(N2CCN(CCO)CC2)n1 |
Homo sapiens |
CHEMBL4807589 |
single protein format |