Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456572'   

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))	BDBM456572 (US10736883, Example 9.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(Cl)cc2NC(C)=O)nnc1-c1ccco1 |r,wU:16.17,(.14,-3.48,;-.94,-4.57,;-2.43,-4.17,;-2.83,-2.69,;-4.32,-2.29,;-5.41,-3.38,;-5.01,-4.86,;-6.1,-5.95,;-7.58,-5.55,;-3.52,-5.26,;-3.12,-6.75,;-1.66,-7.23,;-.32,-6.46,;1.01,-7.23,;2.34,-8,;.24,-8.56,;1.78,-5.89,;1.01,-4.56,;3.32,-5.89,;4.09,-4.56,;3.32,-3.22,;4.09,-1.89,;5.63,-1.89,;6.4,-.56,;6.4,-3.22,;5.63,-4.56,;6.4,-5.89,;7.94,-5.89,;8.71,-7.23,;8.71,-4.56,;-1.66,-8.77,;-3.12,-9.24,;-4.03,-8,;-5.51,-7.6,;-6.42,-6.35,;-7.88,-6.83,;-7.88,-8.37,;-6.42,-8.84,)| 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-/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	0.0910	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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