molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL271696 |
|
Ki |
= |
10.0 |
nM |
285.3 |
CN(C)c1ccc(/C=C/C=C2C(=O)NC(=O)NC2=O)cc1 |
Homo sapiens |
CHEMBL951176 |
single protein format |
CHEMBL4079583 |
OBDepict
CH
3
O
N
N
N
N
N
|
IC50 |
= |
100.0 |
nM |
397.48 |
COc1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1 |
Homo sapiens |
CHEMBL4053556 |
single protein format |
CHEMBL2392772 |
OBDepict
Cl
N
N
F
F
F
N
H
N
Cl
N
CH
3
N
|
IC50 |
= |
360.0 |
nM |
483.33 |
Cc1nc(-c2ccccn2)nc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL352943 |
OBDepict
H
3
C
S
H
2
N
H
HO
H
HN
O
CH
3
H
|
IC50 |
= |
370.0 |
nM |
346.5 |
CCSCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL715020 |
single protein format |
CHEMBL327579 |
OBDepict
O
O
HN
CH
3
H
3
C
CH
3
N
HN
O
N
S
|
IC50 |
= |
400.0 |
nM |
320.37 |
CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1 |
Homo sapiens |
CHEMBL4053556 |
single protein format |
CHEMBL2392900 |
OBDepict
OH
N
N
S
HN
O
O
H
HN
N
Cl
N
CH
3
N
|
IC50 |
= |
600.0 |
nM |
560.12 |
Cc1nc(-c2ccccn2)nc(NC[C@H](NS(=O)(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL2392893 |
OBDepict
O
N
H
H
N
N
H
N
N
H
Cl
N
CH
3
N
|
IC50 |
= |
600.0 |
nM |
480.02 |
Cc1nc(-c2ccccn2)nc(NC[C@H](NC(=O)CCN2CCNCC2)c2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL256279 |
OBDepict
CH
3
O
O
H
NH
H
N
H
O
O
O
H
OH
H
H
3
C
HO
H
HO
H
CH
3
CH
3
|
IC50 |
= |
700.0 |
nM |
584.8 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C)C(=O)NC1 |
Homo sapiens |
CHEMBL4053556 |
single protein format |
CHEMBL4078211 |
OBDepict
H
3
C
O
H
OH
H
NH
O
OH
H
HO
H
H
O
N
H
H
3
C
H
3
C
CH
3
H
O
O
|
IC50 |
= |
700.0 |
nM |
498.62 |
CO[C@@H](C(=O)N[C@H]1CC[C@@H](OC(=O)C2CCCCC2)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C |
Homo sapiens |
CHEMBL4053556 |
single protein format |
CHEMBL2392891 |
OBDepict
OH
N
N
N
H
O
H
N
H
N
Cl
N
CH
3
N
|
IC50 |
= |
800.0 |
nM |
524.07 |
Cc1nc(-c2ccccn2)nc(NC[C@H](NC(=O)CCN2CCN(CCO)CC2)c2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL2392899 |
OBDepict
H
3
C
N
Cl
N
N
H
N
N
H
H
S
O
O
N
NH
|
IC50 |
= |
800.0 |
nM |
516.07 |
Cc1nc(-c2ccccn2)nc(NC[C@H](NS(=O)(=O)CCN2CCNCC2)c2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL2392898 |
OBDepict
OH
N
N
N
H
H
N
H
N
Cl
N
CH
3
N
|
IC50 |
= |
800.0 |
nM |
524.11 |
Cc1nc(-c2ccccn2)nc(NC[C@H](NCCCCN2CCN(CCO)CC2)c2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL472879 |
OBDepict
CH
3
N
Cl
N
NH
N
|
IC50 |
= |
860.0 |
nM |
324.81 |
Cc1nc(-c2ccccn2)nc(NCCc2ccccc2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL2392771 |
OBDepict
H
3
C
N
Cl
N
N
H
N
N
H
N
F
F
F
|
IC50 |
= |
1000.0 |
nM |
408.81 |
Cc1nc(-c2ccccn2)nc(NCCNc2cccc(C(F)(F)F)n2)c1Cl |
Homo sapiens |
CHEMBL2394384 |
assay format |
CHEMBL3337748 |
OBDepict
Cl
O
CH
2
|
IC50 |
= |
1000.0 |
nM |
178.62 |
C=C1Cc2cc(Cl)ccc2C1=O |
Homo sapiens |
CHEMBL3384241 |
assay format |
CHEMBL257930 |
OBDepict
S
HN
N
H
O
O
N
CH
3
CH
3
|
Ki |
= |
1000.0 |
nM |
301.37 |
CN(C)c1ccc(/C=C/C=C2C(=O)NC(=S)NC2=O)cc1 |
Homo sapiens |
CHEMBL951176 |
single protein format |