Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456597'   

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))	BDBM456597 (US10736883, Example 34.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ncc(F)cn2)nnc1-c1ccco1 |(-6.72,-.03,;-5.23,-.43,;-4.14,.66,;-4.54,2.15,;-3.45,3.24,;-1.97,2.84,;-1.57,1.35,;-.08,.95,;1.01,2.04,;-2.66,.26,;-2.15,-1.73,;-.82,-2.5,;.52,-1.73,;1.85,-2.5,;1.08,-3.83,;3.19,-3.27,;2.62,-1.17,;4.16,-1.17,;4.93,.17,;6.47,.17,;7.24,1.5,;6.47,2.83,;7.24,4.17,;4.93,2.83,;4.16,1.5,;-1.14,-4.01,;-2.67,-4.17,;-3.29,-2.76,;-4.78,-2.36,;-5.48,-.99,;-7,-1.23,;-7.24,-2.75,;-5.87,-3.45,)| Show InChI InChI=1S/C20H19FN6O5S/c1-30-14-5-3-6-15(31-2)18(14)27-19(16-7-4-9-32-16)24-25-20(27)26-33(28,29)10-8-17-22-11-13(21)12-23-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,26)	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	3.20	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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