Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465388'   

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))	BDBM465388 (US10793568, Compound I-7) Show SMILES OC(=O)c1cc(OCC(F)(F)F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:24.28,20.22,wD:22.23,THB:25:24:19.18:21,14:18:24.23:21,(4,3.85,;4,2.31,;5.33,1.54,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.33,3.85,;-2.67,4.62,;-4,5.39,;-1.9,5.95,;-3.44,3.29,;0,-0,;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,-0,;-1.29,-3.77,;-2.53,-4.12,;-2.21,-5.81,;-3.16,-7.04,;-.91,-5.25,;.59,-5.87,;-.79,-6.16,;-.81,-7.7,;.51,-8.49,;1.85,-7.74,;.49,-10.03,;-.77,-10.92,;-.32,-12.39,;1.22,-12.41,;1.72,-10.95,;3.19,-10.5,;4.32,-11.55,;3.98,-13.05,;5.79,-11.09,;6.13,-9.59,;5,-8.54,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)| Show InChI InChI=1S/C29H22Cl2F3N3O6S/c30-16-2-1-3-17(31)21(16)24-22(25(43-36-24)12-4-5-12)27(40)42-18-9-15-6-14(18)10-37(15)28-35-23-19(41-11-29(32,33)34)7-13(26(38)39)8-20(23)44-28/h1-3,7-8,12,14-15,18H,4-6,9-11H2,(H,38,39)/t14-,15-,18+/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	39.8	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
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