Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465601'   

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))	BDBM465601 (US10793568, Compound I-251) Show SMILES OC(=O)c1cc(C2CCOC2)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |wU:23.28,19.22,wD:21.23,THB:24:23:18.17:20,13:17:23.22:20,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;0,1.54,;-1.33,2.31,;-1.49,3.84,;-3,4.16,;-3.77,2.83,;-2.74,1.68,;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,;.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,-8.55,;3.53,-9,;2.4,-7.95,;-2.23,-10.42,;-3.74,-10.72,;-3.24,-9.26,)| Show InChI InChI=1S/C31H29Cl2N3O5S/c32-22-2-1-3-23(33)26(22)28-21(29(41-35-28)15-4-5-15)14-40-24-11-19-8-18(24)12-36(19)31-34-27-20(16-6-7-39-13-16)9-17(30(37)38)10-25(27)42-31/h1-3,9-10,15-16,18-19,24H,4-8,11-14H2,(H,37,38)/t16?,18-,19-,24+/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	0.794	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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