Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456589'   

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))	BDBM456589 (US10736883, Example 26.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ncc(C)cn2)nnc1-c1ccc(C)o1 |(-6.05,-.03,;-4.57,-.43,;-3.48,.66,;-3.88,2.15,;-2.79,3.24,;-1.3,2.84,;-.9,1.35,;.59,.95,;1.68,2.04,;-1.99,.26,;-1.48,-1.73,;-.15,-2.5,;1.19,-1.73,;2.52,-2.5,;1.75,-3.83,;3.85,-3.27,;3.29,-1.17,;4.83,-1.17,;5.6,.17,;7.14,.17,;7.91,1.5,;7.14,2.83,;7.91,4.17,;5.6,2.83,;4.83,1.5,;-.47,-4.01,;-2,-4.17,;-2.63,-2.76,;-4.11,-2.36,;-4.81,-.99,;-6.33,-1.23,;-6.58,-2.75,;-7.91,-3.52,;-5.2,-3.45,)| Show InChI InChI=1S/C22H24N6O5S/c1-14-12-23-19(24-13-14)10-11-34(29,30)27-22-26-25-21(18-9-8-15(2)33-18)28(22)20-16(31-3)6-5-7-17(20)32-4/h5-9,12-13H,10-11H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.420	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The human APJ receptor was cloned by polymerase chain reaction and the gene encoding the receptor was subcloned in pFLAG-CMV-3 expression vector (Sig...				US Patent US10736883 (2020) BindingDB Entry DOI: 10.7270/Q2JW8HXW
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