Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456610'   

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))	BDBM456610 (US10736883, Example 51.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1ccco1 |r,wD:16.17,(-6.74,-4.66,;-5.41,-5.43,;-4.08,-4.66,;-4.08,-3.12,;-2.74,-2.35,;-1.41,-3.12,;-1.41,-4.66,;-.07,-5.43,;1.26,-4.66,;-2.74,-5.43,;-2.74,-6.97,;-1.5,-7.87,;-.03,-7.4,;1.11,-8.43,;.34,-9.76,;1.88,-9.76,;2.45,-7.66,;2.45,-6.12,;3.78,-8.43,;5.11,-7.66,;6.45,-8.43,;7.78,-7.66,;7.78,-6.12,;9.12,-5.35,;6.45,-5.35,;5.11,-6.12,;-1.97,-9.34,;-3.51,-9.34,;-3.99,-7.87,;-5.45,-7.4,;-5.93,-5.93,;-7.47,-5.93,;-7.94,-7.4,;-6.7,-8.3,)| 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	1	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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