molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL49442 |
|
IC50 |
= |
30.0 |
nM |
412.49 |
O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 |
Homo sapiens |
CHEMBL4382900 |
single protein format |
CHEMBL44657 |
OBDepict
CH
3
O
OH
O
H
CH
3
H
O
O
H
O
H
O
O
H
O
H
OH
H
H
HO
O
H
O
H
H
3
C
|
IC50 |
= |
69.8 |
nM |
588.56 |
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O |
Homo sapiens |
CHEMBL4156659 |
single protein format |
CHEMBL4751362 |
OBDepict
H
3
C
O
N
N
H
S
N
O
|
IC50 |
= |
130.0 |
nM |
385.45 |
Cc1cc(NC2=NC(=O)/C(=Cc3c4ccccc4cc4ccccc34)S2)no1 |
Homo sapiens |
CHEMBL4672266 |
single protein format |
CHEMBL4213218 |
OBDepict
O
HN
N
N
N
OH
F
N
O
O
HO
|
IC50 |
= |
580.0 |
nM |
507.52 |
O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)N/N=C/c1ccccc1O |
Homo sapiens |
CHEMBL4198805 |
single protein format |
CHEMBL53463 |
OBDepict
OH
O
HO
H
O
HO
OH
H
O
O
O
H
NH
2
H
CH
3
H
OH
O
CH
3
|
IC50 |
= |
727.0 |
nM |
543.53 |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 |
Homo sapiens |
CHEMBL4672266 |
single protein format |
CHEMBL4205327 |
OBDepict
O
NH
N
N
N
N
H
F
N
O
O
OH
|
IC50 |
= |
860.0 |
nM |
530.56 |
O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)N/N=C/c1cc2ccccc2[nH]1 |
Homo sapiens |
CHEMBL4198805 |
single protein format |