Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50185699' 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)) | BDBM50185699
(CHEMBL3824337)Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.17,1.49,;-4.4,2.82,;-4.38,4.36,;-5.92,4.59,;-6.46,6.03,;-5.49,7.23,;-6.04,8.67,;-7.56,8.91,;-8.1,10.35,;-9.58,10.74,;-9.66,12.28,;-8.21,12.82,;-7.25,11.62,;-5.71,11.68,;-4.38,11.09,;-4.59,12.62,;-10.78,9.77,;-12.17,10.44,;-12.26,11.66,;-13.44,9.56,;-13.32,8.03,;-11.93,7.36,;-10.66,8.24,;-9.54,7.71,;-3.97,6.98,;-3.42,5.54,;-2.21,5.34,)| Show InChI InChI=1S/C31H24Cl3N3O4/c1-37-26-11-16(7-9-19(26)29(35-37)31(38)39)20-13-21(20)18-10-8-17(12-25(18)34)40-14-22-28(36-41-30(22)15-5-6-15)27-23(32)3-2-4-24(27)33/h2-4,7-12,15,20-21H,5-6,13-14H2,1H3,(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as... |
Bioorg Med Chem Lett 26: 3746-53 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.070
BindingDB Entry DOI: 10.7270/Q2C24ZB9 |
More data for this
Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50185699
(CHEMBL3824337)Show SMILES Cn1nc(C(O)=O)c2ccc(cc12)C1CC1c1ccc(OCc2c(noc2C2CC2)-c2c(Cl)cccc2Cl)cc1Cl |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.17,1.49,;-4.4,2.82,;-4.38,4.36,;-5.92,4.59,;-6.46,6.03,;-5.49,7.23,;-6.04,8.67,;-7.56,8.91,;-8.1,10.35,;-9.58,10.74,;-9.66,12.28,;-8.21,12.82,;-7.25,11.62,;-5.71,11.68,;-4.38,11.09,;-4.59,12.62,;-10.78,9.77,;-12.17,10.44,;-12.26,11.66,;-13.44,9.56,;-13.32,8.03,;-11.93,7.36,;-10.66,8.24,;-9.54,7.71,;-3.97,6.98,;-3.42,5.54,;-2.21,5.34,)| Show InChI InChI=1S/C31H24Cl3N3O4/c1-37-26-11-16(7-9-19(26)29(35-37)31(38)39)20-13-21(20)18-10-8-17(12-25(18)34)40-14-22-28(36-41-30(22)15-5-6-15)27-23(32)3-2-4-24(27)33/h2-4,7-12,15,20-21H,5-6,13-14H2,1H3,(H,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description
Agonist activity at C-terminal Gal4-tagged human FXR (187 to 472 residues) expressed in HEK-293 cells co-expressing pFRluc by mammalian one hybrid as... |
Bioorg Med Chem Lett 26: 3746-53 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.070
BindingDB Entry DOI: 10.7270/Q2C24ZB9 |
More data for this
Ligand-Target Pair | |
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