molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2181542 |
|
IC50 |
= |
113.0 |
nM |
408.54 |
CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 |
Homo sapiens |
CHEMBL2388878 |
cell-based format |
CHEMBL2181540 |
OBDepict
CH
3
H
3
C
CH
3
HO
O
O
OH
|
IC50 |
= |
261.0 |
nM |
394.51 |
CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1 |
Homo sapiens |
CHEMBL2388878 |
cell-based format |
CHEMBL2177264 |
OBDepict
CH
3
H
3
C
CH
3
HO
O
O
|
IC50 |
= |
358.0 |
nM |
378.51 |
CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1 |
Homo sapiens |
CHEMBL2388878 |
cell-based format |
CHEMBL3774473 |
OBDepict
O
O
N
N
N
N
O
|
IC50 |
= |
420.0 |
nM |
390.44 |
O=C(N1CCC(n2nc(-c3cccnc3)oc2=O)CC1)C1(c2ccccc2)CC1 |
Homo sapiens |
CHEMBL3777631 |
cell-based format |
CHEMBL1542168 |
OBDepict
Cl
N
O
N
N
O
O
|
IC50 |
= |
640.0 |
nM |
423.9 |
O=C(N1CCC(n2nc(-c3ccccc3)oc2=O)CC1)C1(c2ccc(Cl)cc2)CC1 |
Homo sapiens |
CHEMBL3777631 |
cell-based format |
CHEMBL3775187 |
OBDepict
CH
3
N
O
H
3
C
H
3
C
N
N
O
O
|
IC50 |
= |
770.0 |
nM |
431.54 |
Cc1ccc(C2(C(=O)N3CCC(n4nc(-c5ccccc5)oc4=O)CC3)CC2(C)C)cc1 |
Homo sapiens |
CHEMBL3777631 |
cell-based format |
CHEMBL2181544 |
OBDepict
CH
3
HO
O
O
OH
|
IC50 |
= |
854.0 |
nM |
392.5 |
CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCC1 |
Homo sapiens |
CHEMBL2388878 |
cell-based format |
CHEMBL2181546 |
OBDepict
H
3
C
HO
O
O
OH
|
IC50 |
= |
961.0 |
nM |
406.52 |
CCCCC1(c2cc(O)c3cc(Cc4ccccc4O)c(=O)oc3c2)CCCCC1 |
Homo sapiens |
CHEMBL2388878 |
cell-based format |
CHEMBL2387533 |
OBDepict
CH
3
O
O
O
CH
3
O
H
3
C
H
3
C
H
3
C
|
IC50 |
= |
981.0 |
nM |
338.4 |
COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O |
Homo sapiens |
CHEMBL2388878 |
cell-based format |