BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50510489'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))
BDBM50510489
PNG
(CHEMBL4462669)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C33H39N5O3/c1-22(2)32(39)38-18-16-24(17-19-38)21-29(31-35-28-15-10-23(3)20-30(28)37(31)4)36-33(40)34-25-11-13-27(14-12-25)41-26-8-6-5-7-9-26/h5-15,20,22,24,29H,16-19,21H2,1-4H3,(H2,34,36,40)/t29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<2.00E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...


Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50510489
PNG
(CHEMBL4462669)
Show SMILES CC(C)C(=O)N1CCC(C[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r|
Show InChI InChI=1S/C33H39N5O3/c1-22(2)32(39)38-18-16-24(17-19-38)21-29(31-35-28-15-10-23(3)20-30(28)37(31)4)36-33(40)34-25-11-13-27(14-12-25)41-26-8-6-5-7-9-26/h5-15,20,22,24,29H,16-19,21H2,1-4H3,(H2,34,36,40)/t29-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...


Bioorg Med Chem 27: 2220-2227 (2019)


Article DOI: 10.1016/j.bmc.2019.04.029
BindingDB Entry DOI: 10.7270/Q2R49V2G
More data for this
Ligand-Target Pair