molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2419706 |
|
IC50 |
= |
3.5 |
nM |
494.59 |
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419698 |
OBDepict
F
O
N
N
O
N
N
S
H
O
O
|
IC50 |
= |
3.6 |
nM |
524.62 |
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2cccs2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL3408213 |
OBDepict
CH
3
N
N
N
N
Cl
O
N
H
|
IC50 |
= |
7.0 |
nM |
421.93 |
Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 |
Homo sapiens |
CHEMBL3413918 |
cell-based format |
CHEMBL2419705 |
OBDepict
F
O
N
N
O
N
N
H
O
O
|
IC50 |
= |
17.0 |
nM |
482.56 |
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419701 |
OBDepict
H
3
C
CH
3
N
O
N
N
N
H
O
O
O
F
|
IC50 |
= |
17.0 |
nM |
484.57 |
CC(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419702 |
OBDepict
CH
3
N
O
N
N
N
H
O
O
O
F
|
IC50 |
= |
34.0 |
nM |
470.55 |
CCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419697 |
OBDepict
O
NH
N
N
N
H
O
O
O
F
|
IC50 |
= |
40.0 |
nM |
428.46 |
O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419700 |
OBDepict
F
O
N
N
O
N
N
N
H
O
O
|
IC50 |
= |
52.0 |
nM |
519.58 |
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419699 |
OBDepict
F
O
N
N
O
N
N
H
O
O
|
IC50 |
= |
65.0 |
nM |
518.59 |
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419703 |
OBDepict
H
3
C
N
O
N
N
N
H
O
O
O
F
|
IC50 |
= |
70.0 |
nM |
456.52 |
CCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL1086580 |
OBDepict
OH
N
N
S
F
F
F
|
IC50 |
= |
78.0 |
nM |
312.32 |
Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419704 |
OBDepict
F
O
N
N
O
H
3
C
N
N
H
O
O
|
IC50 |
= |
193.0 |
nM |
442.49 |
CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419718 |
OBDepict
O
N
N
N
S
H
F
O
O
|
IC50 |
= |
304.0 |
nM |
427.5 |
O=C(CCc1ccccc1F)N(Cc1nc2c(c(=O)[nH]1)COCC2)Cc1cccs1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419692 |
OBDepict
F
N
O
N
N
S
H
O
O
|
IC50 |
= |
483.0 |
nM |
427.5 |
O=C(CCc1ccc(F)cc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)Cc1cccs1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419694 |
OBDepict
HO
N
O
N
N
S
H
O
O
|
IC50 |
= |
812.0 |
nM |
425.51 |
O=C(CCc1cccc(O)c1)N(Cc1nc2c(c(=O)[nH]1)COCC2)Cc1cccs1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |
CHEMBL2419711 |
OBDepict
O
N
N
N
S
H
O
|
IC50 |
= |
937.0 |
nM |
403.51 |
O=C(CCc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1 |
Homo sapiens |
CHEMBL2422476 |
cell-based format |