molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4288931 |
|
IC50 |
= |
0.4 |
nM |
273.42 |
CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL4276023 |
assay format |
CHEMBL4284436 |
OBDepict
HO
H
H
NH
H
HO
H
HO
|
IC50 |
= |
10.0 |
nM |
251.33 |
OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 |
Homo sapiens |
CHEMBL4276023 |
assay format |
CHEMBL1922581 |
OBDepict
H
3
C
N
H
H
H
OH
H
HO
HO
H
HO
|
IC50 |
= |
125.0 |
nM |
287.4 |
CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL3774077 |
single protein format |
CHEMBL4085739 |
OBDepict
H
3
C
H
HN
H
OH
H
OH
H
HO
|
IC50 |
= |
180.0 |
nM |
217.31 |
CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL4007591 |
single protein format |
CHEMBL3771185 |
OBDepict
OH
H
H
NH
H
HO
H
HO
N
H
S
O
O
N
H
3
C
CH
3
|
IC50 |
= |
210.0 |
nM |
451.59 |
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H]3NC[C@@H](O)[C@@H](O)[C@H]3CO)cccc12 |
Homo sapiens |
CHEMBL3774077 |
single protein format |
CHEMBL1818433 |
OBDepict
OH
H
N
H
H
HO
H
HO
|
IC50 |
= |
240.0 |
nM |
147.17 |
OC[C@H]1CNC[C@@H](O)[C@H]1O |
Homo sapiens |
CHEMBL4007590 |
single protein format |
CHEMBL4281031 |
OBDepict
OH
H
H
CH
3
NH
H
HO
H
HO
|
IC50 |
= |
250.0 |
nM |
161.2 |
C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |
Homo sapiens |
CHEMBL4276023 |
assay format |
CHEMBL4069909 |
OBDepict
OH
H
H
HN
H
HO
H
OH
H
OH
N
H
S
O
O
N
H
3
C
CH
3
|
Ki |
= |
290.0 |
nM |
495.64 |
CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12 |
Homo sapiens |
CHEMBL4036535 |
single protein format |
CHEMBL205982 |
OBDepict
HO
H
N
H
HO
H
OH
H
OH
N
H
S
O
O
N
H
3
C
CH
3
|
Ki |
= |
300.0 |
nM |
495.64 |
CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN3C[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12 |
Homo sapiens |
CHEMBL1912895 |
single protein format |
CHEMBL1922581 |
OBDepict
H
3
C
N
H
H
H
OH
H
HO
HO
H
HO
|
Ki |
= |
300.0 |
nM |
287.4 |
CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL2344842 |
single protein format |
CHEMBL461161 |
OBDepict
CH
3
O
O
HN
H
S
O
O
N
H
3
C
H
3
C
N
H
H
OH
OH
H
OH
H
OH
|
Ki |
= |
700.0 |
nM |
539.65 |
COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(N(C)C)cccc12 |
Homo sapiens |
CHEMBL1912895 |
single protein format |