Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456605'   

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))	BDBM456605 (US10736883, Example 42.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(C)nn2)nnc1-c1ccco1 |r,wU:16.17,(-6.18,-7.22,;-4.69,-7.62,;-3.6,-6.53,;-4,-5.05,;-2.91,-3.96,;-1.43,-4.36,;-1.03,-5.84,;.46,-6.24,;1.55,-5.15,;-2.12,-6.93,;-1.48,-8.66,;-.04,-9.21,;1.29,-8.44,;2.63,-9.21,;3.96,-9.98,;1.86,-10.55,;3.4,-7.88,;2.63,-6.54,;4.94,-7.88,;5.71,-6.54,;7.25,-6.54,;8.02,-5.21,;7.25,-3.88,;8.02,-2.54,;5.71,-3.88,;4.94,-5.21,;-.12,-10.75,;-1.61,-11.15,;-2.45,-9.86,;-3.93,-9.46,;-4.77,-8.17,;-6.26,-8.57,;-6.34,-10.1,;-4.9,-10.65,)| Show InChI InChI=1S/C22H24N6O5S/c1-14-10-11-16(24-23-14)13-15(2)34(29,30)27-22-26-25-21(19-9-6-12-33-19)28(22)20-17(31-3)7-5-8-18(20)32-4/h5-12,15H,13H2,1-4H3,(H,26,27)/t15-/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	12	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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