Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465395'   

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))	BDBM465395 (US10793568, Compound I-14) Show SMILES OC(=O)c1cc(C2CC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:19.21,21.26,wD:17.20,TLB:22:21:15.16:18,11:15:20.21:18,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;,1.54,;;1.33,-.77,;1.33,-2.31,;2.1,-3.64,;.56,-3.64,;2.67,,;4.13,-.48,;5.04,.77,;4.13,2.02,;2.67,1.54,;1.33,2.31,;6.58,.77,;6.89,-.6,;7.48,.91,;5.67,3.13,;6.91,2.19,;8.59,2.54,;8.96,1.3,;10.31,.55,;10.33,-.99,;11.67,-1.74,;13.07,-1.09,;14.12,-2.22,;13.37,-3.56,;11.86,-3.27,;10.73,-4.31,;9.26,-3.86,;8.91,-2.36,;8.13,-4.91,;8.47,-6.41,;9.94,-6.86,;11.07,-5.82,;12.54,-6.27,;13.37,.42,;12.87,1.88,;14.38,1.58,)| Show InChI InChI=1S/C30H27Cl2N3O4S/c31-21-2-1-3-22(32)25(21)27-20(28(39-34-27)15-6-7-15)13-38-23-11-18-8-17(23)12-35(18)30-33-26-19(14-4-5-14)9-16(29(36)37)10-24(26)40-30/h1-3,9-10,14-15,17-18,23H,4-8,11-13H2,(H,36,37)/t17-,18-,23+/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	2.51	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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