molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4278436 |
|
IC50 |
= |
5.0 |
nM |
304.71 |
O=C(Nc1ccnc(Cl)c1)Nc1cc(C(F)F)ns1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4295096 |
OBDepict
OH
N
N
H
F
HN
O
S
N
F
F
|
IC50 |
< |
5.0 |
nM |
318.28 |
O=C(Nc1cc(C(F)F)ns1)Nc1cc(F)ncc1CO |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4282980 |
OBDepict
O
N
H
N
H
S
NH
2
N
F
N
F
F
|
IC50 |
< |
5.0 |
nM |
303.27 |
Nc1cnc(F)cc1NC(=O)Nc1cc(C(F)F)ns1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4293567 |
OBDepict
OH
N
N
H
Cl
HN
O
S
N
F
F
|
IC50 |
< |
5.0 |
nM |
334.74 |
O=C(Nc1cc(C(F)F)ns1)Nc1cc(Cl)ncc1CO |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4286345 |
OBDepict
O
N
H
N
H
S
NH
2
N
Cl
N
F
F
|
IC50 |
< |
5.0 |
nM |
319.72 |
Nc1cnc(Cl)cc1NC(=O)Nc1cc(C(F)F)ns1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4294655 |
OBDepict
O
N
H
N
H
S
N
N
Cl
F
F
F
|
IC50 |
= |
10.0 |
nM |
322.7 |
O=C(Nc1ccnc(Cl)c1)Nc1cc(C(F)(F)F)ns1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4286757 |
OBDepict
O
N
H
NH
S
N
CH
3
N
Cl
|
IC50 |
= |
33.0 |
nM |
268.73 |
Cc1cc(NC(=O)Nc2ccnc(Cl)c2)sn1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4290175 |
OBDepict
O
N
H
HN
N
Cl
N
F
F
F
|
IC50 |
= |
60.0 |
nM |
316.67 |
O=C(Nc1ccnc(Cl)c1)Nc1ccnc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4279505 |
OBDepict
O
N
H
HN
N
Cl
N
F
F
|
IC50 |
= |
110.0 |
nM |
298.68 |
O=C(Nc1ccnc(Cl)c1)Nc1ccnc(C(F)F)c1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4281368 |
OBDepict
O
N
H
HN
N
Cl
N
CH
3
|
IC50 |
= |
200.0 |
nM |
262.7 |
Cc1cc(NC(=O)Nc2ccnc(Cl)c2)ccn1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4282784 |
OBDepict
O
N
H
NH
S
N
CH
3
N
Cl
|
IC50 |
= |
970.0 |
nM |
268.73 |
Cc1csc(NC(=O)Nc2ccnc(Cl)c2)n1 |
Homo sapiens |
CHEMBL4276233 |
cell-based format |
CHEMBL4063051 |
OBDepict
O
H
3
C
N
H
O
NH
S
O
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
410.5 |
Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2c1C(=O)CCC2 |
Homo sapiens |
CHEMBL4038409 |
assay format |