Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456577'   

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))	BDBM456577 (US10736883, Example 14.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ccc(Cl)cn2)nnc1-c1ccco1 |r,wD:16.17,(1.69,-3.6,;.6,-4.69,;-.88,-4.29,;-1.28,-2.8,;-2.77,-2.41,;-3.86,-3.49,;-3.46,-4.98,;-4.55,-6.07,;-6.04,-5.67,;-1.97,-5.38,;-1.57,-6.87,;-.11,-7.34,;1.22,-6.57,;2.56,-7.34,;3.89,-8.11,;1.79,-8.68,;3.33,-6.01,;2.56,-4.68,;4.87,-6.01,;5.64,-4.68,;7.18,-4.68,;7.95,-3.34,;7.18,-2.01,;7.95,-.68,;5.64,-2.01,;4.87,-3.34,;-.11,-8.88,;-1.57,-9.36,;-2.48,-8.11,;-3.97,-7.72,;-4.87,-6.47,;-6.34,-6.95,;-6.34,-8.49,;-4.87,-8.96,)| 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-/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	0.200	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
					More data for this Ligand-Target Pair