Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM50541304'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50541304 (CHEMBL4640808) Show SMILES CCCSc1nc(=O)cc(O)n1-c1ccccc1Br |(75.66,-25.69,;77,-26.46,;78.33,-25.69,;79.66,-26.45,;81,-25.68,;81,-24.14,;82.33,-23.36,;82.33,-21.82,;83.66,-24.14,;83.67,-25.67,;85,-26.44,;82.33,-26.44,;82.33,-27.98,;81,-28.75,;81,-30.29,;82.33,-31.06,;83.67,-30.29,;83.67,-28.74,;85,-27.96,)| Show InChI InChI=1S/C13H13BrN2O2S/c1-2-7-19-13-15-11(17)8-12(18)16(13)10-6-4-3-5-9(10)14/h3-6,8,18H,2,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	155	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human APJ expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126955 BindingDB Entry DOI: 10.7270/Q27W6GRP
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