Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456581'   

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))	BDBM456581 (US10736883, Example 18.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(Cl)cc2Br)nnc1-c1ccco1 |r,wD:16.17,(-6.96,-2.72,;-5.63,-3.49,;-4.3,-2.72,;-4.3,-1.18,;-2.96,-.41,;-1.63,-1.18,;-1.63,-2.72,;-.3,-3.49,;1.04,-2.72,;-2.96,-3.49,;-2.96,-5.17,;-1.72,-6.08,;-.38,-5.31,;.95,-6.08,;.18,-7.41,;1.72,-7.41,;2.28,-5.31,;2.28,-3.77,;3.62,-6.08,;4.95,-5.31,;4.95,-3.77,;6.28,-3,;7.62,-3.77,;8.95,-3,;7.62,-5.31,;6.28,-6.08,;6.28,-7.62,;-2.19,-7.54,;-3.73,-7.54,;-4.21,-6.08,;-5.58,-5.49,;-6.06,-4.03,;-7.6,-4.03,;-8.07,-5.49,;-6.83,-6.4,)| Show InChI InChI=1S/C22H21BrClN5O5S/c1-13(10-16-15(23)11-14(24)12-25-16)35(30,31)28-22-27-26-21(19-8-5-9-34-19)29(22)20-17(32-2)6-4-7-18(20)33-3/h4-9,11-13H,10H2,1-3H3,(H,27,28)/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	0.280	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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