Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456587'   

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))	BDBM456587 (US10736883, Example 24.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2cnc(C)cn2)nnc1-c1ccc(C)o1 |r,wU:16.17,(-5.41,-5.53,;-3.93,-5.93,;-2.84,-4.84,;-3.24,-3.35,;-2.15,-2.27,;-.66,-2.66,;-.26,-4.15,;1.23,-4.55,;2.32,-3.46,;-1.35,-5.24,;-.84,-7.23,;.49,-8,;1.83,-7.23,;3.16,-8,;2.39,-9.34,;4.49,-8.77,;3.93,-6.67,;3.16,-5.34,;5.47,-6.67,;6.24,-5.34,;7.78,-5.34,;8.55,-4,;7.78,-2.67,;8.55,-1.34,;6.24,-2.67,;5.47,-4,;.17,-9.51,;-1.36,-9.67,;-1.99,-8.26,;-3.47,-7.87,;-4.17,-6.49,;-5.69,-6.73,;-5.94,-8.26,;-7.27,-9.03,;-4.56,-8.95,)| Show InChI InChI=1S/C23H26N6O5S/c1-14-12-25-17(13-24-14)11-16(3)35(30,31)28-23-27-26-22(20-10-9-15(2)34-20)29(23)21-18(32-4)7-6-8-19(21)33-5/h6-10,12-13,16H,11H2,1-5H3,(H,27,28)/t16-/m0/s1	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	0.360	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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