molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL71723 |
|
Ki |
= |
1.6 |
nM |
539.72 |
NC[C@@H]1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 |
Homo sapiens |
CHEMBL807426 |
cell-based format |
CHEMBL363092 |
OBDepict
H
2
N
N
S
N
N
N
N
H
F
|
Ki |
= |
58.0 |
nM |
460.58 |
NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1 |
Homo sapiens |
CHEMBL830344 |
single protein format |
CHEMBL187768 |
OBDepict
NH
2
N
S
N
N
N
N
H
CH
3
|
Ki |
= |
130.0 |
nM |
456.62 |
Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 |
Homo sapiens |
CHEMBL830344 |
single protein format |
CHEMBL185861 |
OBDepict
NH
2
N
S
N
N
N
N
H
Cl
|
Ki |
= |
180.0 |
nM |
477.04 |
NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1 |
Homo sapiens |
CHEMBL830344 |
single protein format |
CHEMBL227212 |
OBDepict
NH
2
N
H
N
H
O
O
N
H
N
H
H
O
|
IC50 |
= |
233.0 |
nM |
551.69 |
NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O |
Homo sapiens |
CHEMBL888499 |
single protein format |
CHEMBL501699 |
OBDepict
OH
O
F
F
F
NH
2
N
H
NH
O
O
N
H
NH
H
O
H
3
C
|
IC50 |
= |
253.0 |
nM |
589.61 |
CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCc2ccccc2)C1=O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL1009178 |
cell-based format |
CHEMBL93351 |
OBDepict
H
2
N
N
O
N
O
H
S
N
H
|
IC50 |
= |
407.0 |
nM |
554.76 |
NCCCC1CCCN2C(=O)[C@@H](Cc3c[nH]c4ccccc34)SCCN(Cc3cccc4ccccc34)C(=O)C12 |
Homo sapiens |
CHEMBL801244 |
single protein format |
CHEMBL92914 |
OBDepict
H
2
N
H
HN
O
N
O
H
S
N
H
|
IC50 |
= |
501.0 |
nM |
514.7 |
NCCCC[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)SCCN(Cc2cccc3ccccc23)C1=O |
Homo sapiens |
CHEMBL801244 |
single protein format |
CHEMBL434159 |
OBDepict
H
2
N
N
S
N
N
N
O
N
H
H
3
C
|
Ki |
= |
530.0 |
nM |
484.63 |
Cc1cccc2c(C(=O)CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12 |
Homo sapiens |
CHEMBL830344 |
single protein format |
CHEMBL305279 |
OBDepict
H
2
N
NH
O
N
H
H
N
O
N
H
|
Ki |
= |
537.0 |
nM |
539.72 |
NCC1CCCC(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)N2CCC3(C=Cc4ccccc43)CC2)C1 |
Homo sapiens |
CHEMBL807426 |
cell-based format |
CHEMBL3287613 |
OBDepict
F
N
H
O
H
H
NH
N
H
|
Ki |
= |
656.0 |
nM |
365.45 |
O=C(N[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL3296536 |
cell membrane format |
CHEMBL147499 |
OBDepict
NH
2
N
H
H
O
O
O
CH
3
CH
3
H
3
C
N
H
CH
3
H
O
N
N
H
|
Ki |
= |
712.0 |
nM |
589.78 |
C[C@@H](c1c[nH]c2ccccc12)[C@H](C(=O)N[C@H](CCCCN)C(=O)OC(C)(C)C)N1CCN(CCCc2ccccc2)C1=O |
Homo sapiens |
CHEMBL806157 |
single protein format |
CHEMBL3421842 |
OBDepict
O
N
H
H
H
H
H
3
C
H
3
C
N
CH
3
NH
|
Ki |
= |
848.0 |
nM |
309.41 |
Cc1cc2ccccc2c(C(C)(C)NC(=O)[C@@H]2[C@H]3CNC[C@H]32)n1 |
Homo sapiens |
CHEMBL3424507 |
cell-based format |
CHEMBL473160 |
OBDepict
OH
O
F
F
F
NH
2
N
H
O
O
O
H
3
C
N
H
N
H
H
O
|
IC50 |
= |
962.0 |
nM |
590.6 |
COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL1009178 |
cell-based format |