Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465405'   

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))	BDBM465405 (US10793568, Compound I-24) Show SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)-c1c(Cl)cccc1Cl |wU:19.23,15.17,wD:17.18,THB:9:13:19.18:16,20:19:14.13:16,(5.33,1.54,;4,2.31,;4,3.85,;2.67,1.54,;1.33,2.31,;,1.54,;-1.33,2.31,;;-1.14,-1.03,;-.52,-2.44,;1.01,-2.28,;1.33,-.77,;2.67,,;-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,;1.72,-10.95,;1.22,-12.41,;-.32,-12.39,;-.77,-10.92,;-2.23,-10.42,;-2.97,-11.77,;-3.43,-9.45,;-1.99,-8.9,;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,)| Show InChI InChI=1S/C27H21Cl2F2N3O4S/c28-16-2-1-3-17(29)21(16)22-15(24(38-33-22)27(31)4-5-27)11-37-19-9-14-6-13(19)10-34(14)26-32-23-18(30)7-12(25(35)36)8-20(23)39-26/h1-3,7-8,13-14,19H,4-6,9-11H2,(H,35,36)/t13-,14-,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	12.6	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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