Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456592'   

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))	BDBM456592 (US10736883, Example 29.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cc2C#N)nnc1-c1ccco1 |r,wU:16.17,(-6.47,-5.5,;-4.99,-5.9,;-3.9,-4.81,;-4.3,-3.32,;-3.21,-2.23,;-1.72,-2.63,;-1.32,-4.12,;.17,-4.52,;1.26,-3.43,;-2.41,-5.21,;-1.9,-7.2,;-.57,-7.97,;.76,-7.2,;2.1,-7.97,;1.33,-9.3,;3.43,-8.74,;2.87,-6.64,;2.1,-5.3,;4.41,-6.64,;5.18,-5.3,;4.41,-3.97,;5.18,-2.63,;6.72,-2.63,;7.49,-1.3,;7.49,-3.97,;6.75,-5.35,;7.52,-6.68,;8.29,-8.02,;-.89,-9.48,;-2.42,-9.64,;-3.05,-8.23,;-4.53,-7.83,;-5.23,-6.46,;-6.75,-6.7,;-7,-8.22,;-5.62,-8.92,)| Show InChI InChI=1S/C23H21FN6O5S/c1-14(10-17-15(12-25)11-16(24)13-26-17)36(31,32)29-23-28-27-22(20-8-5-9-35-20)30(23)21-18(33-2)6-4-7-19(21)34-3/h4-9,11,13-14H,10H2,1-3H3,(H,28,29)/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	0.820	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