Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456570'   

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))	BDBM456570 (US10736883, Example 7.0) Show SMILES COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1ccc(C)o1 |r,wU:16.17,(-7.44,9.4,;-6.1,8.64,;-4.77,9.4,;-4.77,10.94,;-3.43,11.72,;-2.1,10.94,;-2.1,9.4,;-.77,8.64,;.57,9.4,;-3.43,8.64,;-3.43,7.1,;-2.19,6.19,;-.72,6.67,;.36,5.58,;1.13,4.24,;-.4,4.24,;1.7,6.35,;1.7,7.89,;3.03,5.58,;4.37,6.35,;5.7,5.58,;7.03,6.35,;7.03,7.89,;8.37,8.66,;5.7,8.66,;4.37,7.89,;-2.66,4.73,;-4.2,4.73,;-4.68,6.19,;-6.15,6.67,;-6.62,8.13,;-8.16,8.13,;-8.64,6.67,;-10.1,6.19,;-7.39,5.76,)| Show InChI InChI=1S/C20H21FN8O5S/c1-11-5-6-14(34-11)17-26-27-20(29(17)16-18(32-3)24-10-25-19(16)33-4)28-35(30,31)12(2)7-15-22-8-13(21)9-23-15/h5-6,8-10,12H,7H2,1-4H3,(H,27,28)/t12-/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	3	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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