Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM465491'   

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))	BDBM465491 (US10793568, Compound I-140) Show SMILES Clc1cccc(Cl)c1-c1noc(C2CC2)c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc2oc(=O)[nH]c2c1 |wU:18.20,22.24,wD:20.23,TLB:17:18:23.24:21,25:24:18.19:21,(10.53,-7.71,;10.08,-6.24,;11.13,-5.11,;10.67,-3.64,;9.17,-3.3,;8.12,-4.43,;6.62,-4.08,;8.58,-5.9,;7.53,-7.03,;7.83,-8.54,;6.48,-9.29,;5.35,-8.24,;3.84,-8.54,;2.68,-9.55,;2.38,-8.04,;6,-6.84,;5.25,-5.5,;3.71,-5.48,;2.96,-4.13,;4,-3.19,;2.4,-3.41,;1.35,-6.08,;1.56,-4.54,;.43,-3.24,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.65,3.82,;3.19,3.98,;3.96,5.31,;3.81,2.57,;2.67,1.54,;2.67,,)| Show InChI InChI=1S/C26H23Cl2N3O4/c27-18-2-1-3-19(28)23(18)24-17(25(35-30-24)13-4-5-13)12-33-22-10-16-8-14(22)11-31(16)15-6-7-21-20(9-15)29-26(32)34-21/h1-3,6-7,9,13-14,16,22H,4-5,8,10-12H2,(H,29,32)/t14-,16-,22+/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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