Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465414'   

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))	BDBM465414 (US10793568, Compound I-33) Show SMILES Fc1cc(cc2sc(nc12)N1C[C@@H]2C[C@H]1C[C@H]2OC(=O)c1c(onc1-c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C1CC1 |wU:14.15,wD:16.20,12.14,THB:17:16:11.10:13,7:10:16.15:13,(-1.33,2.31,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.01,-2.28,;-.52,-2.44,;-1.14,-1.03,;;-1.29,-3.77,;-.97,-5.02,;-2.6,-5.59,;-3.18,-7.03,;-2.76,-4.19,;-4.04,-3.19,;-3.61,-4.54,;-4.93,-5.33,;-6.27,-4.57,;-6.3,-3.04,;-7.6,-5.36,;-7.73,-6.9,;-9.24,-7.24,;-10.03,-5.92,;-9.01,-4.76,;-9.35,-3.26,;-8.23,-2.21,;-6.75,-2.66,;-8.57,-.71,;-10.04,-.25,;-11.17,-1.3,;-10.83,-2.8,;-11.96,-3.85,;-6.58,-7.91,;-5.06,-8.21,;-6.08,-9.37,;4,2.31,;5.33,1.54,;4,3.85,;5.33,4.62,;6.1,3.29,;4.56,5.95,;6.67,5.39,;7.44,6.72,;8.21,5.39,)| Show InChI InChI=1S/C30H25Cl2FN4O6S2/c31-18-2-1-3-19(32)23(18)26-24(27(43-35-26)13-4-5-13)29(39)42-21-11-16-8-15(21)12-37(16)30-34-25-20(33)9-14(10-22(25)44-30)28(38)36-45(40,41)17-6-7-17/h1-3,9-10,13,15-17,21H,4-8,11-12H2,(H,36,38)/t15-,16-,21+/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	25.1	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