Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456602'   

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))	BDBM456602 (US10736883, Example 39.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ncc(C)cn2)nnc1-c1ccco1 |(-7.02,-.38,;-5.53,-.78,;-4.44,.31,;-4.84,1.8,;-3.75,2.89,;-2.26,2.49,;-1.87,1,;-.38,.6,;.71,1.69,;-2.95,-.09,;-2.32,-1.81,;-.88,-2.37,;.46,-1.6,;1.79,-2.37,;3.12,-3.14,;1.02,-3.7,;2.56,-1.03,;4.1,-1.03,;4.87,.3,;6.41,.3,;7.18,1.64,;6.41,2.97,;7.18,4.3,;4.87,2.97,;4.1,1.64,;-.96,-3.9,;-2.45,-4.3,;-3.28,-3.01,;-4.77,-2.61,;-5.61,-1.32,;-7.1,-1.72,;-7.18,-3.26,;-5.74,-3.81,)| Show InChI InChI=1S/C21H22N6O5S/c1-14-12-22-18(23-13-14)9-11-33(28,29)26-21-25-24-20(17-8-5-10-32-17)27(21)19-15(30-2)6-4-7-16(19)31-3/h4-8,10,12-13H,9,11H2,1-3H3,(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	6.60	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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