molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL209855 |
|
IC50 |
= |
90.0 |
nM |
373.41 |
CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211612 |
OBDepict
CH
3
H
H
O
O
CH
3
HN
N
H
O
+
N
O
_
O
|
IC50 |
= |
150.0 |
nM |
387.44 |
CC[C@H]1CC[C@H](OC(=O)C2=C(C)NC(=O)NC2c2ccc([N+](=O)[O-])cc2)CC1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL426323 |
OBDepict
O
O
H
3
C
N
H
NH
O
+
N
O
_
O
|
IC50 |
= |
180.0 |
nM |
357.37 |
CC1=C(C(=O)OC2C=CCCC2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211941 |
OBDepict
O
N
H
N
H
CH
3
H
O
O
+
N
O
_
O
|
IC50 |
= |
200.0 |
nM |
345.36 |
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211864 |
OBDepict
O
N
H
HN
CH
3
O
O
+
N
O
_
O
|
IC50 |
= |
250.0 |
nM |
345.36 |
CC1=C(C(=O)OC2CCCC2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211117 |
OBDepict
H
3
C
O
O
CH
3
HN
N
H
O
+
N
O
_
O
|
IC50 |
= |
260.0 |
nM |
359.38 |
CCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL437303 |
OBDepict
O
O
H
3
C
N
H
NH
O
+
N
O
_
O
|
IC50 |
= |
500.0 |
nM |
359.38 |
CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL212149 |
OBDepict
O
N
H
N
H
H
3
C
H
O
O
F
F
F
|
IC50 |
= |
600.0 |
nM |
368.36 |
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL378290 |
OBDepict
H
3
C
O
O
CH
3
NH
HN
O
+
N
O
_
O
|
IC50 |
= |
640.0 |
nM |
345.36 |
CC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211772 |
OBDepict
CH
3
O
O
CH
3
N
H
HN
O
+
N
O
_
O
|
IC50 |
= |
650.0 |
nM |
331.33 |
C/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL212012 |
OBDepict
H
3
C
O
O
CH
3
NH
N
H
O
+
N
O
_
O
|
IC50 |
= |
700.0 |
nM |
345.36 |
CC/C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211656 |
OBDepict
O
N
H
HN
CH
3
O
O
F
F
F
|
IC50 |
= |
1000.0 |
nM |
368.36 |
CC1=C(C(=O)OC2CCCC2)C(c2ccc(C(F)(F)F)cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL211182 |
OBDepict
O
O
H
3
C
N
H
NH
O
Br
|
IC50 |
= |
1000.0 |
nM |
379.25 |
CC1=C(C(=O)OC2CCCC2)C(c2ccc(Br)cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |
CHEMBL208649 |
OBDepict
O
O
H
3
C
N
H
NH
O
Cl
|
IC50 |
= |
1000.0 |
nM |
334.8 |
CC1=C(C(=O)OC2CCCC2)C(c2ccc(Cl)cc2)NC(=O)N1 |
Homo sapiens |
CHEMBL870441 |
cell-based format |