molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4287262 |
|
IC50 |
= |
180.0 |
nM |
257.25 |
NC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1 |
Homo sapiens |
CHEMBL4272739 |
assay format |
CHEMBL4208737 |
OBDepict
F
O
O
H
2
N
|
IC50 |
= |
230.0 |
nM |
245.25 |
NC(=O)c1ccc(OCc2ccccc2F)cc1 |
Homo sapiens |
CHEMBL4272739 |
assay format |
CHEMBL4128574 |
OBDepict
F
N
O
O
O
H
2
N
|
IC50 |
= |
250.0 |
nM |
418.47 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4cccc(F)c4)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL1438938 |
OBDepict
NH
2
O
O
O
NH
2
|
IC50 |
= |
329.0 |
nM |
256.26 |
NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4122805 |
assay format |
CHEMBL4125748 |
OBDepict
F
HO
N
O
O
O
NH
2
|
IC50 |
= |
390.0 |
nM |
434.47 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(O)(c4ccc(F)cc4)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4129789 |
OBDepict
F
N
O
O
O
NH
2
|
IC50 |
= |
400.0 |
nM |
418.47 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4130035 |
OBDepict
F
N
N
O
O
O
H
2
N
|
IC50 |
= |
460.0 |
nM |
419.46 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4cccc(F)c4)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4127497 |
OBDepict
O
N
O
N
F
O
NH
2
|
IC50 |
= |
460.0 |
nM |
419.46 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4129923 |
OBDepict
O
N
O
F
O
NH
2
|
IC50 |
= |
470.0 |
nM |
418.47 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4F)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4126054 |
OBDepict
NH
2
O
O
O
H
2
N
|
IC50 |
= |
510.0 |
nM |
256.26 |
NC(=O)c1ccc(Oc2cccc(C(N)=O)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL1173055 |
OBDepict
H
3
C
NH
N
H
N
H
O
F
|
IC50 |
= |
570.0 |
nM |
323.37 |
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 |
Homo sapiens |
CHEMBL3995367 |
assay format |
CHEMBL4127327 |
OBDepict
O
N
O
O
NH
2
|
IC50 |
= |
580.0 |
nM |
400.48 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4)CC3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4128256 |
OBDepict
O
N
O
O
NH
2
|
IC50 |
= |
600.0 |
nM |
400.48 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCCC(c4ccccc4)C3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL4462418 |
OBDepict
CH
3
N
NH
O
N
H
|
IC50 |
= |
710.0 |
nM |
277.33 |
Cc1c(-c2cnc3[nH]ccc3c2)ccc2c1CCNC2=O |
Homo sapiens |
CHEMBL4311836 |
single protein format |
CHEMBL4287655 |
OBDepict
O
O
O
NH
2
|
IC50 |
= |
710.0 |
nM |
241.25 |
NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1 |
Homo sapiens |
CHEMBL4272739 |
assay format |
CHEMBL4277717 |
OBDepict
NH
2
O
O
|
IC50 |
= |
720.0 |
nM |
191.23 |
NC(=O)c1ccc(OC2CCC2)cc1 |
Homo sapiens |
CHEMBL4272739 |
assay format |
CHEMBL4129542 |
OBDepict
O
N
O
O
NH
2
|
IC50 |
= |
780.0 |
nM |
386.45 |
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccccc4)C3)c2)cc1 |
Homo sapiens |
CHEMBL4122797 |
assay format |
CHEMBL3414775 |
OBDepict
H
3
C
O
O
NH
O
O
NH
2
|
IC50 |
= |
800.0 |
nM |
248.24 |
COC(=O)/C=CC(=O)Nc1cccc(C(N)=O)c1 |
Homo sapiens |
CHEMBL3420113 |
assay format |