Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apelin receptor' and Ligand = 'BDBM456599'   

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))	BDBM456599 (US10736883, Example 36.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(Br)cn2)nnc1-c1ccco1 |r,wD:16.17,(-7.14,6.11,;-5.66,5.71,;-4.57,6.8,;-4.96,8.29,;-3.88,9.38,;-2.39,8.98,;-1.99,7.49,;-.5,7.09,;.59,8.18,;-3.08,6.4,;-2.5,4.55,;-1.09,3.93,;.24,4.7,;1.57,3.93,;.49,2.84,;2.91,3.16,;2.34,5.26,;1.57,6.59,;3.88,5.26,;4.65,6.59,;6.19,6.59,;6.96,7.93,;6.19,9.26,;6.96,10.59,;4.65,9.26,;3.88,7.93,;-1.25,2.39,;-2.76,2.07,;-3.53,3.41,;-5.02,3.81,;-5.57,5.24,;-7.11,5.16,;-7.51,3.68,;-6.21,2.84,)| Show InChI InChI=1S/C21H21BrN6O5S/c1-13(10-18-23-11-14(22)12-24-18)34(29,30)27-21-26-25-20(17-8-5-9-33-17)28(21)19-15(31-2)6-4-7-16(19)32-3/h4-9,11-13H,10H2,1-3H3,(H,26,27)/t13-/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	3.5	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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