Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50535382' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bile acid receptor
(Homo sapiens (Human)) | BDBM50535382
(CHEMBL4588863)Show SMILES CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(56.53,-18.8,;54.99,-18.64,;54.36,-17.24,;54.09,-19.89,;52.55,-19.9,;52.08,-21.36,;53.34,-22.27,;54.57,-21.36,;56.04,-21.82,;57.18,-20.79,;58.64,-21.26,;58.97,-22.76,;60.43,-23.22,;61.57,-22.19,;63.04,-22.65,;64.18,-21.61,;65.65,-22.08,;65.97,-23.58,;67.44,-24.05,;68.57,-23.01,;68.24,-21.5,;66.77,-21.04,;69.37,-20.46,;70.84,-20.92,;69.04,-18.95,;61.24,-20.68,;59.77,-20.22,;53.34,-23.81,;54.68,-24.57,;56.01,-23.8,;54.68,-26.12,;53.35,-26.89,;52.01,-26.12,;52.02,-24.58,;50.68,-23.81,)| Show InChI InChI=1S/C27H23Cl2NO5/c1-16(2)26-21(25(30-35-26)24-22(28)7-4-8-23(24)29)15-34-19-11-9-17(10-12-19)14-33-20-6-3-5-18(13-20)27(31)32/h3-13,16H,14-15H2,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50535382
(CHEMBL4588863)Show SMILES CC(C)c1onc(c1COc1ccc(COc2cccc(c2)C(O)=O)cc1)-c1c(Cl)cccc1Cl |(56.53,-18.8,;54.99,-18.64,;54.36,-17.24,;54.09,-19.89,;52.55,-19.9,;52.08,-21.36,;53.34,-22.27,;54.57,-21.36,;56.04,-21.82,;57.18,-20.79,;58.64,-21.26,;58.97,-22.76,;60.43,-23.22,;61.57,-22.19,;63.04,-22.65,;64.18,-21.61,;65.65,-22.08,;65.97,-23.58,;67.44,-24.05,;68.57,-23.01,;68.24,-21.5,;66.77,-21.04,;69.37,-20.46,;70.84,-20.92,;69.04,-18.95,;61.24,-20.68,;59.77,-20.22,;53.34,-23.81,;54.68,-24.57,;56.01,-23.8,;54.68,-26.12,;53.35,-26.89,;52.01,-26.12,;52.02,-24.58,;50.68,-23.81,)| Show InChI InChI=1S/C27H23Cl2NO5/c1-16(2)26-21(25(30-35-26)24-22(28)7-4-8-23(24)29)15-34-19-11-9-17(10-12-19)14-33-20-6-3-5-18(13-20)27(31)32/h3-13,16H,14-15H2,1-2H3,(H,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a |
University of Naples "Federico II"
Curated by ChEMBL
| Assay Description
Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase rep... |
ACS Med Chem Lett 10: 407-412 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00423
BindingDB Entry DOI: 10.7270/Q2WM1HXK |
More data for this
Ligand-Target Pair | |
Search and Browse
