Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465404'   

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))	BDBM465404 (US10793568, Compound I-23) Show SMILES OC(=O)c1cc(OC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1C1CCOCC1)C1CC1 |THB:13:17:23.22:20,24:23:18.17:20| Show InChI InChI=1S/C27H28F3N3O6S/c28-27(29,30)38-20-8-15(25(34)35)9-21-23(20)31-26(40-21)33-11-16-7-17(33)10-19(16)37-12-18-22(13-3-5-36-6-4-13)32-39-24(18)14-1-2-14/h8-9,13-14,16-17,19H,1-7,10-12H2,(H,34,35)/t16-,17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a
ARDELYX, INC. US Patent					Assay Description The affinity of FXR ligands for the ligand binding domain of FXR was determined using a commercially available human FXR ligand binding assay (Lantha...				US Patent US10793568 (2020) BindingDB Entry DOI: 10.7270/Q21C20Z1
					More data for this Ligand-Target Pair