Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456608'   

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))	BDBM456608 (US10736883, Example 45.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2cncnc2)nnc1-c1ccco1 |r,wD:16.17,(-6.97,-5.22,;-5.48,-5.62,;-4.39,-4.53,;-4.79,-3.05,;-3.7,-1.96,;-2.21,-2.35,;-1.81,-3.84,;-.33,-4.24,;.76,-3.15,;-2.9,-4.93,;-2.26,-6.66,;-.83,-7.21,;.51,-6.44,;1.84,-7.21,;1.07,-8.55,;2.61,-5.88,;3.17,-7.98,;3.17,-9.52,;4.51,-7.21,;5.84,-7.98,;5.84,-9.52,;7.18,-10.29,;8.51,-9.52,;8.51,-7.98,;7.18,-7.21,;-.91,-8.75,;-2.39,-9.15,;-3.23,-7.86,;-4.72,-7.46,;-5.56,-6.17,;-7.05,-6.56,;-7.13,-8.1,;-5.69,-8.65,)| Show InChI InChI=1S/C21H22N6O5S/c1-14(10-15-11-22-13-23-12-15)33(28,29)26-21-25-24-20(18-8-5-9-32-18)27(21)19-16(30-2)6-4-7-17(19)31-3/h4-9,11-14H,10H2,1-3H3,(H,25,26)/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	72	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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