Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456576'   

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))	BDBM456576 (US10736883, Example 13.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(Cl)cc2NC(C)=O)nnc1-c1ccco1 |r,wD:16.17,(-6.81,-2.64,;-5.47,-3.41,;-4.14,-2.64,;-4.14,-1.1,;-2.81,-.33,;-1.47,-1.1,;-1.47,-2.64,;-.14,-3.41,;1.19,-2.64,;-2.81,-3.41,;-2.81,-5.09,;-1.56,-6,;-.23,-5.23,;1.11,-6,;.34,-7.33,;1.88,-7.33,;2.44,-5.23,;2.44,-3.69,;3.77,-6,;5.11,-5.23,;5.11,-3.69,;6.44,-2.92,;7.77,-3.69,;9.11,-2.92,;7.77,-5.23,;6.44,-6,;6.44,-7.54,;7.77,-8.31,;7.77,-9.85,;9.11,-7.54,;-2.04,-7.46,;-3.58,-7.46,;-4.05,-6,;-5.42,-5.41,;-5.9,-3.94,;-7.44,-3.94,;-7.91,-5.41,;-6.67,-6.31,)| Show InChI InChI=1S/C24H25ClN6O6S/c1-14(11-17-18(27-15(2)32)12-16(25)13-26-17)38(33,34)30-24-29-28-23(21-9-6-10-37-21)31(24)22-19(35-3)7-5-8-20(22)36-4/h5-10,12-14H,11H2,1-4H3,(H,27,32)(H,29,30)/t14-/m1/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	0.190	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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