molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4859660 |
|
IC50 |
= |
-22900.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804499 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-22300.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804499 |
cell-based format |
CHEMBL4855730 |
OBDepict
F
NH
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-5000.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804499 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
14.4 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328622 |
single protein format |
CHEMBL4792789 |
OBDepict
Cl
O
N
H
O
Br
HO
OH
|
IC50 |
= |
50.0 |
nM |
484.73 |
O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cccc(O)c1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |
CHEMBL4762099 |
OBDepict
Cl
O
N
H
O
Br
OH
+
N
O
_
O
|
IC50 |
= |
110.0 |
nM |
513.73 |
O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |
CHEMBL4759888 |
OBDepict
Cl
O
N
H
O
Br
OH
OH
|
IC50 |
= |
240.0 |
nM |
484.73 |
O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1c(O)cccc1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |
CHEMBL4797256 |
OBDepict
Cl
Cl
OH
NH
O
Cl
O
Br
|
IC50 |
= |
260.0 |
nM |
537.62 |
O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cc(Cl)cc(Cl)c1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |
CHEMBL4751500 |
OBDepict
OH
O
HO
Cl
N
H
O
HO
Cl
Cl
|
IC50 |
= |
650.0 |
nM |
440.67 |
O=C(Nc1ccc(Oc2cc(O)cc(O)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |
CHEMBL4759820 |
OBDepict
Cl
Cl
OH
HN
O
Cl
O
F
F
F
|
IC50 |
= |
1000.0 |
nM |
476.67 |
O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O |
Homo sapiens |
CHEMBL4727716 |
single protein format |