Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456586'   

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))	BDBM456586 (US10736883, Example 23.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(Br)cn2)nnc1-c1ccco1 |r,wU:16.17,(-6.11,-5.5,;-4.62,-5.9,;-3.53,-4.81,;-3.93,-3.32,;-2.84,-2.23,;-1.35,-2.63,;-.96,-4.12,;.53,-4.52,;1.62,-3.43,;-2.04,-5.21,;-1.54,-7.2,;-.2,-7.97,;1.13,-7.2,;2.46,-7.97,;1.69,-9.3,;3.8,-8.74,;3.23,-6.64,;2.46,-5.3,;4.77,-6.64,;5.54,-5.3,;7.08,-5.3,;7.85,-3.97,;7.08,-2.63,;7.85,-1.3,;5.54,-2.63,;4.77,-3.97,;-.52,-9.48,;-2.06,-9.64,;-2.68,-8.23,;-4.17,-7.83,;-4.87,-6.46,;-6.39,-6.7,;-6.63,-8.22,;-5.26,-8.92,)| Show InChI InChI=1S/C22H22BrN5O5S/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	0.360	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