molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL124809 |
|
IC50 |
= |
1.0 |
nM |
596.61 |
COS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL655073 |
single protein format |
CHEMBL340098 |
OBDepict
OH
O
F
F
F
CH
3
HN
O
HN
O
H
O
N
S
N
NH
2
NH
2
|
IC50 |
= |
2.0 |
nM |
504.49 |
CC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL655073 |
single protein format |
CHEMBL127185 |
OBDepict
OH
O
F
F
F
H
2
N
N
NH
2
NH
H
O
N
S
O
H
N
O
H
3
C
|
IC50 |
= |
4.0 |
nM |
544.56 |
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL655073 |
single protein format |
CHEMBL339703 |
OBDepict
OH
O
F
F
F
NH
2
N
H
2
N
N
H
H
O
N
S
O
H
N
O
CH
3
|
IC50 |
= |
5.0 |
nM |
530.53 |
CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL655073 |
single protein format |
CHEMBL341148 |
OBDepict
OH
O
F
F
F
NH
2
N
H
NH
HN
H
O
N
S
O
H
N
|
IC50 |
= |
8.0 |
nM |
592.64 |
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(=O)c1nc2ccccc2s1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL655073 |
single protein format |
CHEMBL3787587 |
OBDepict
O
N
H
H
N
N
O
OH
H
N
Cl
N
N
N
F
|
IC50 |
= |
410.0 |
nM |
457.85 |
O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CC=NN1C(=O)[C@H](O)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3788440 |
single protein format |
CHEMBL51173 |
OBDepict
O
N
H
N
H
H
S
N
O
O
O
HN
NH
2
|
Ki |
= |
690.0 |
nM |
521.64 |
N=C(N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 |
Homo sapiens |
CHEMBL655075 |
single protein format |