Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456609'   

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))	BDBM456609 (US10736883, Example 46.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccncn2)nnc1-c1ccco1 |r,wU:16.17,(-6.31,-5.56,;-4.82,-5.96,;-3.73,-4.87,;-4.13,-3.38,;-3.04,-2.29,;-1.55,-2.69,;-1.16,-4.18,;.33,-4.58,;1.42,-3.49,;-2.24,-5.27,;-1.61,-6.99,;-.17,-7.55,;1.17,-6.78,;2.5,-7.55,;3.83,-8.32,;1.73,-8.88,;3.27,-6.21,;2.5,-4.88,;4.81,-6.21,;5.58,-4.88,;7.12,-4.88,;7.89,-3.55,;7.12,-2.21,;5.58,-2.21,;4.81,-3.55,;-.25,-9.08,;-1.74,-9.48,;-2.57,-8.19,;-4.06,-7.79,;-4.9,-6.5,;-6.39,-6.9,;-6.47,-8.44,;-5.03,-8.99,)| Show InChI InChI=1S/C21H22N6O5S/c1-14(12-15-9-10-22-13-23-15)33(28,29)26-21-25-24-20(18-8-5-11-32-18)27(21)19-16(30-2)6-4-7-17(19)31-3/h4-11,13-14H,12H2,1-3H3,(H,25,26)/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	300	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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