molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4099180 |
|
IC50 |
= |
60.2 |
nM |
442.38 |
CN(C)CCn1nnnc1SCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl |
Homo sapiens |
CHEMBL4047051 |
single protein format |
CHEMBL4081152 |
OBDepict
Cl
Cl
HN
S
N
O
O
N
H
3
C
H
3
C
N
|
IC50 |
= |
95.2 |
nM |
489.43 |
CN(C)c1cccc2c(S(=O)(=O)NC(Cn3ccnc3)c3ccc(Cl)cc3Cl)cccc12 |
Homo sapiens |
CHEMBL4047051 |
single protein format |
CHEMBL157101 |
OBDepict
Cl
Cl
O
O
N
O
N
N
N
O
CH
3
|
IC50 |
= |
340.0 |
nM |
531.44 |
CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
Homo sapiens |
CHEMBL4047053 |
assay format |
CHEMBL4074768 |
OBDepict
OH
N
N
H
H
3
C
HO
N
CH
3
N
H
O
N
|
IC50 |
= |
410.0 |
nM |
391.43 |
Cc1[nH]nc(O)c1C(c1cccc(OCc2ccncc2)c1)c1c(O)n[nH]c1C |
Homo sapiens |
CHEMBL4047053 |
assay format |
CHEMBL389014 |
OBDepict
H
2
C
H
OH
H
HO
H
H
3
C
H
H
3
C
H
S
O
NH
|
IC50 |
= |
554.0 |
nM |
483.72 |
C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCS(=N)(=O)c2ccccc2)C[C@@H](O)C[C@@H]1O |
Homo sapiens |
CHEMBL917757 |
cell-based format |
CHEMBL255088 |
OBDepict
CH
2
H
OH
H
HO
CH
3
CH
3
H
+
S
HN
_
O
|
IC50 |
= |
554.0 |
nM |
481.7 |
C=C1/C(=CC=C2/CCC[C@]3(C)C([C@H](C)CC[S+](=N)([O-])c4ccccc4)=CCC23)C[C@@H](O)C[C@@H]1O |
Homo sapiens |
CHEMBL926261 |
single protein format |
CHEMBL4104395 |
OBDepict
OH
N
N
H
H
3
C
HO
N
CH
3
N
H
O
N
|
IC50 |
= |
570.0 |
nM |
391.43 |
Cc1[nH]nc(O)c1C(c1ccc(OCc2ccncc2)cc1)c1c(O)n[nH]c1C |
Homo sapiens |
CHEMBL4047053 |
assay format |
CHEMBL253613 |
OBDepict
Cl
N
H
O
N
N
|
IC50 |
= |
616.0 |
nM |
401.9 |
O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(-c2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL926259 |
cell-based format |
CHEMBL1170908 |
OBDepict
Cl
N
H
O
N
H
N
|
IC50 |
= |
616.1 |
nM |
401.9 |
O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc(-c2ccc(Cl)cc2)cc1 |
Homo sapiens |
CHEMBL4047051 |
single protein format |