molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-1100.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804428 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-500.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804428 |
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 |
= |
0.114 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328486 |
single protein format |
CHEMBL3884319 |
OBDepict
HO
H
N
N
O
CH
3
H
3
C
N
NH
|
IC50 |
= |
21.0 |
nM |
386.45 |
CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3ccccc3)ncc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |
CHEMBL3884344 |
OBDepict
O
N
H
3
C
H
3
C
N
H
N
NH
N
H
S
O
O
CH
3
|
IC50 |
= |
180.0 |
nM |
463.56 |
CC1(C)C(=O)N([C@H]2CCc3c(NS(C)(=O)=O)cccc32)c2nc(Nc3ccccc3)ncc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |
CHEMBL3884318 |
OBDepict
HO
N
CH
3
H
N
O
CH
3
H
3
C
N
NH
N
|
IC50 |
= |
270.0 |
nM |
375.43 |
C[C@@H](c1cccc(O)c1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |
CHEMBL3883979 |
OBDepict
H
2
N
H
N
N
O
CH
3
H
3
C
N
NH
|
IC50 |
= |
450.0 |
nM |
385.47 |
CC1(C)C(=O)N([C@H]2CCc3c(N)cccc32)c2nc(Nc3ccccc3)ncc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |
CHEMBL3883433 |
OBDepict
O
N
CH
3
H
3
C
N
H
N
NH
N
|
IC50 |
= |
520.0 |
nM |
371.44 |
CC1(C)C(=O)N([C@H]2CCc3ccccc32)c2nc(Nc3cccnc3)ncc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |
CHEMBL3884535 |
OBDepict
O
N
H
3
C
H
3
C
N
N
HN
N
NH
|
IC50 |
= |
920.0 |
nM |
420.56 |
CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccc(N4CCNCC4)c3)ncc21 |
Homo sapiens |
CHEMBL3876024 |
cell-based format |