Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456611'   

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))	BDBM456611 (US10736883, Example 52.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1ccco1 |r,wD:16.17,(.57,6.64,;-.58,5.6,;-2.04,6.08,;-2.37,7.58,;-3.83,8.05,;-4.97,7.02,;-4.65,5.52,;-5.79,4.48,;-7.26,4.96,;-3.18,5.04,;-2.86,3.54,;-1.45,2.91,;-.12,3.69,;1.22,2.92,;2.55,2.15,;.45,1.59,;1.99,4.25,;1.22,5.59,;3.53,4.25,;4.3,5.59,;5.84,5.59,;6.61,6.92,;5.84,8.26,;6.61,9.59,;4.3,8.26,;3.53,6.92,;-1.61,1.38,;-3.12,1.06,;-3.89,2.39,;-5.42,2.55,;-6.19,3.88,;-7.7,3.56,;-7.86,2.02,;-6.45,1.4,)| Show InChI InChI=1S/C21H21FN6O5S/c1-13(10-18-23-11-14(22)12-24-18)34(29,30)27-21-26-25-20(17-8-5-9-33-17)28(21)19-15(31-2)6-4-7-16(19)32-3/h4-9,11-13H,10H2,1-3H3,(H,26,27)/t13-/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	0.290	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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