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 = 'BDBM50271998'   

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))	BDBM50271998 (CHEMBL4127302) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2ccc(cc2)C#N)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H30FN3O3S/c1-30(2,23-9-14-26(35-3)27(17-23)36-4)28-19-33-29(34(28)25-12-10-24(31)11-13-25)38-16-15-37-20-22-7-5-21(18-32)6-8-22/h5-14,17,19H,15-16,20H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Cadila Healthcare Ltd. Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase delta assessed as inhibition of incorporation of dTTP into poly(dA)/oligo(dT)18 after 60 mins				Bioorg Med Chem Lett 28: 1849-1852 (2018) Article DOI: 10.1016/j.bmcl.2018.04.011 BindingDB Entry DOI: 10.7270/Q2BP0588
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