Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456613'   

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))	BDBM456613 (US10736883, Example 54.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](O)c2coc(C)n2)nnc1-c1ccc(C)o1 |r,wU:16.17,wD:18.19,(.9,6.78,;-.43,6.01,;-1.77,6.78,;-1.77,8.32,;-3.1,9.09,;-4.44,8.32,;-4.43,6.78,;-5.77,6.01,;-7.1,6.78,;-3.1,6.01,;-3.1,4.47,;-1.85,3.57,;-.52,4.34,;.82,3.57,;2.15,2.8,;-.52,2.8,;2.15,4.34,;2.15,5.88,;3.48,3.57,;3.48,2.03,;4.82,4.34,;4.98,5.87,;6.48,6.19,;7.25,4.85,;8.79,4.69,;6.22,3.71,;-2.33,2.1,;-3.87,2.1,;-4.34,3.56,;-5.81,4.04,;-6.29,5.5,;-7.83,5.5,;-8.3,4.04,;-9.76,3.56,;-7.05,3.13,)| Show InChI InChI=1S/C22H25N5O7S/c1-12-9-10-18(34-12)21-24-25-22(27(21)19-16(31-4)7-6-8-17(19)32-5)26-35(29,30)13(2)20(28)15-11-33-14(3)23-15/h6-11,13,20,28H,1-5H3,(H,25,26)/t13-,20+/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	8.30	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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