molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4277947 |
|
Ki |
= |
150.0 |
nM |
454.57 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)O[C@H]2CCCC[C@@H]2c2ccccc2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4288603 |
OBDepict
O
O
H
H
H
H
H
H
O
HO
|
Ki |
= |
330.0 |
nM |
454.57 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)O[C@@H]2CCCC[C@H]2c2ccccc2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4287117 |
OBDepict
O
O
H
H
H
H
O
HO
|
Ki |
= |
350.0 |
nM |
448.52 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2ccccc2-c2ccccc2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4284051 |
OBDepict
CH
3
O
H
H
H
O
O
H
O
HO
H
O
H
CH
3
|
Ki |
= |
400.0 |
nM |
514.62 |
COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4292072 |
OBDepict
O
O
O
HO
|
Ki |
= |
450.0 |
nM |
422.48 |
O=C(O)C1C(c2ccccc2)C(C(=O)Oc2cccc3ccccc23)C1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4281879 |
OBDepict
O
O
H
H
H
H
O
HO
|
Ki |
= |
450.0 |
nM |
422.48 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc23)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4290002 |
OBDepict
O
O
H
H
H
H
O
OH
|
Ki |
= |
500.0 |
nM |
378.47 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4293131 |
OBDepict
O
O
H
H
H
H
O
HO
|
Ki |
= |
530.0 |
nM |
386.45 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCc2ccccc2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4279887 |
OBDepict
OH
O
O
H
H
H
H
O
HO
|
Ki |
= |
540.0 |
nM |
464.52 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2ccccc2-c2ccccc2O)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4293939 |
OBDepict
O
O
H
H
H
H
Cl
O
OH
Cl
Cl
|
Ki |
= |
540.0 |
nM |
475.75 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cc(Cl)c(Cl)cc2Cl)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4287414 |
OBDepict
CH
3
O
H
H
H
O
O
H
O
HO
O
CH
3
|
Ki |
= |
670.0 |
nM |
482.53 |
COc1ccccc1[C@H]1[C@H](C(=O)O)[C@H](c2ccccc2OC)[C@H]1C(=O)Oc1cccc2ccccc12 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4295043 |
OBDepict
O
O
H
H
H
H
O
OH
|
Ki |
= |
740.0 |
nM |
448.52 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2cccc(-c3ccccc3)c2)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4291624 |
OBDepict
CH
O
O
H
H
H
H
O
OH
|
Ki |
= |
780.0 |
nM |
396.44 |
C#Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccccc3)[C@H](C(=O)O)[C@@H]2c2ccccc2)c1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4289745 |
OBDepict
O
O
H
H
H
H
O
HO
|
Ki |
= |
890.0 |
nM |
422.48 |
O=C(O)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)Oc2cccc3ccccc23)[C@@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |
CHEMBL4283759 |
OBDepict
I
O
O
H
H
H
H
O
OH
|
Ki |
= |
940.0 |
nM |
498.32 |
O=C(O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)Oc2ccccc2I)[C@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4271808 |
assay format |