molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4080604 |
|
Ki |
= |
1.2 |
nM |
477.48 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(S(=O)(=O)[O-])cc32)cc1.[Na+] |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4097126 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
+
N
O
_
O
|
Ki |
= |
4.1 |
nM |
420.43 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4081547 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
F
|
Ki |
= |
4.5 |
nM |
393.43 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(F)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4070963 |
OBDepict
S
N
H
N
H
N
O
NH
S
O
O
NH
2
H
3
C
|
Ki |
= |
5.7 |
nM |
389.46 |
Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL20 |
OBDepict
CH
3
N
H
O
N
S
N
S
O
O
NH
2
|
Ki |
= |
5.7 |
nM |
222.25 |
CC(=O)Nc1nnc(S(N)(=O)=O)s1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4061260 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
Cl
|
Ki |
= |
5.8 |
nM |
409.88 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(Cl)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4069928 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
I
|
Ki |
= |
5.9 |
nM |
501.33 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(I)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4099555 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
O
F
F
F
|
Ki |
= |
6.0 |
nM |
459.43 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4089415 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
Br
|
Ki |
= |
6.1 |
nM |
454.33 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccc(Br)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4064015 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
Br
Br
|
Ki |
= |
6.3 |
nM |
533.23 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3c(Br)cc(Br)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4091812 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
|
Ki |
= |
6.9 |
nM |
375.44 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3ccccc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4104834 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
F
|
Ki |
= |
45.5 |
nM |
393.43 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3c(F)cccc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4093328 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
Cl
Cl
|
Ki |
= |
82.3 |
nM |
444.33 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |
CHEMBL4072614 |
OBDepict
S
N
H
N
H
N
O
HN
S
O
O
NH
2
Cl
|
Ki |
= |
87.3 |
nM |
409.88 |
NS(=O)(=O)c1ccc(NC(=S)N/N=C2C(=O)Nc3c(Cl)cccc32)cc1 |
Homo sapiens |
CHEMBL4036367 |
assay format |