Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456574'   

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))	BDBM456574 (US10736883, Example 11.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(Cl)cn2)nnc1-c1ccco1 |r,wU:16.17,(1.57,-3.44,;.48,-4.53,;-1.01,-4.13,;-1.41,-2.64,;-2.9,-2.24,;-3.99,-3.33,;-3.59,-4.82,;-4.68,-5.91,;-6.16,-5.51,;-2.1,-5.22,;-1.7,-6.71,;-.24,-7.18,;1.1,-6.41,;2.43,-7.18,;3.76,-7.95,;1.66,-8.51,;3.2,-5.85,;2.43,-4.51,;4.74,-5.85,;5.51,-4.51,;7.05,-4.51,;7.82,-3.18,;7.05,-1.85,;7.82,-.51,;5.51,-1.85,;4.74,-3.18,;-.24,-8.72,;-1.7,-9.2,;-2.61,-7.95,;-4.09,-7.55,;-5,-6.31,;-6.46,-6.78,;-6.46,-8.32,;-5,-8.8,)| Show InChI InChI=1S/C22H22ClN5O5S/c1-14(12-16-10-9-15(23)13-24-16)34(29,30)27-22-26-25-21(19-8-5-11-33-19)28(22)20-17(31-2)6-4-7-18(20)32-3/h4-11,13-14H,12H2,1-3H3,(H,26,27)/t14-/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	0.140	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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