molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4581663 |
|
IC50 |
= |
15.0 |
nM |
410.42 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c(F)cccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4546760 |
OBDepict
F
O
N
H
O
NH
H
O
F
|
IC50 |
= |
60.0 |
nM |
410.42 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4520267 |
OBDepict
F
O
N
H
O
NH
H
O
|
IC50 |
= |
73.0 |
nM |
392.43 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4520585 |
OBDepict
F
O
N
CH
3
O
NH
H
O
|
IC50 |
= |
130.0 |
nM |
406.46 |
CN(CC(=O)CF)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4553669 |
OBDepict
F
O
N
H
O
NH
H
O
N
N
|
IC50 |
= |
230.0 |
nM |
394.41 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL1496397 |
OBDepict
O
HN
N
O
S
N
N
S
H
3
C
CH
3
|
IC50 |
= |
316.0 |
nM |
466.63 |
Cc1sc2nc(C3CCCCC3)nc(SCC(=O)N3CC(=O)Nc4ccccc43)c2c1C |
Homo sapiens |
CHEMBL3870650 |
assay format |
CHEMBL4469737 |
OBDepict
F
O
N
H
O
N
H
H
O
O
|
IC50 |
= |
360.0 |
nM |
422.46 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4407115 |
single protein format |
CHEMBL4567870 |
OBDepict
F
O
N
H
O
NH
H
O
N
|
IC50 |
= |
530.0 |
nM |
393.42 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4560825 |
OBDepict
O
N
H
N
H
N
S
+
N
O
_
O
Br
|
IC50 |
= |
610.0 |
nM |
357.19 |
O=C(NCc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL303579 |
OBDepict
Cl
O
N
H
H
O
O
|
IC50 |
= |
630.0 |
nM |
331.8 |
O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1 |
Homo sapiens |
CHEMBL3870651 |
single protein format |
CHEMBL4534968 |
OBDepict
O
NH
NH
N
S
+
N
N
O
_
O
|
IC50 |
= |
640.0 |
nM |
329.34 |
O=C(NCc1cnc2ccccc2c1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL4578571 |
OBDepict
F
O
NH
O
N
H
H
O
O
CH
3
|
IC50 |
= |
720.0 |
nM |
372.4 |
COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)CF)c1 |
Homo sapiens |
CHEMBL4480313 |
single protein format |
CHEMBL4483776 |
OBDepict
O
N
H
N
H
N
S
+
N
O
_
O
Cl
|
IC50 |
= |
730.0 |
nM |
312.74 |
O=C(NCc1cccc(Cl)c1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL4575072 |
OBDepict
O
N
H
N
H
N
S
+
N
N
O
_
O
|
IC50 |
= |
850.0 |
nM |
279.28 |
O=C(NCc1cccnc1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL4592322 |
OBDepict
O
N
H
N
H
N
S
+
N
O
_
O
F
F
F
|
IC50 |
= |
880.0 |
nM |
346.29 |
O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL4574173 |
OBDepict
F
O
HN
O
N
H
H
O
|
IC50 |
= |
920.0 |
nM |
356.4 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4579064 |
OBDepict
F
O
NH
O
N
H
H
O
N
N
|
IC50 |
= |
950.0 |
nM |
344.35 |
O=C(CF)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |
Homo sapiens |
CHEMBL4480315 |
cell-based format |
CHEMBL4555963 |
OBDepict
O
N
H
N
H
N
S
+
N
O
_
O
Br
|
IC50 |
= |
950.0 |
nM |
357.19 |
O=C(NCc1cccc(Br)c1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |
CHEMBL4542508 |
OBDepict
O
NH
NH
N
S
+
N
O
_
O
|
IC50 |
= |
1000.0 |
nM |
354.39 |
O=C(NCc1ccc(-c2ccccc2)cc1)Nc1ncc([N+](=O)[O-])s1 |
Homo sapiens |
CHEMBL4482757 |
single protein format |