Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50612418'   

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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50612418 (CHEMBL5284434) Show SMILES Fc1cccc(F)c1-c1ccncc1CN1[C@H](ON=C1c1ccco1)c1cc(cc(c1Cl)C(F)(F)F)C(F)(F)F |r,wD:16.28,c:20,(-2.66,-5.35,;-1.32,-4.58,;.01,-5.35,;1.34,-4.58,;1.34,-3.04,;.01,-2.27,;.01,-.73,;-1.32,-3.04,;-2.66,-2.27,;-3.99,-3.04,;-5.32,-2.27,;-5.32,-.73,;-3.99,.04,;-2.66,-.73,;-1.32,.04,;-1.32,1.58,;-.08,2.48,;-.55,3.95,;-2.09,3.95,;-2.57,2.48,;-4.06,2.08,;-5.35,2.91,;-6.56,1.94,;-6.03,.53,;-4.46,.6,;1.41,2.08,;1.81,.59,;3.3,.2,;4.38,1.29,;3.98,2.77,;2.5,3.17,;2.1,4.66,;5.07,3.86,;4.67,5.35,;6.56,3.46,;6.16,4.95,;3.7,-1.29,;5.19,-1.69,;2.61,-2.38,;4.1,-2.78,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
TBA									Citation and Details
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