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SMILES: COCn1cnc2c(C[C@H](C)S(=O)(=O)Nc3nnc(-c4ccco4)n3-c3c(OC)cccc3OC)ncc(F)c12

InChI Key: InChIKey=VKTPXOMKMFVVBO-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 456561   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM456561 (US10736883, Example 4.0) Show SMILES COCn1cnc2c(C[C@H](C)S(=O)(=O)Nc3nnc(-c4ccco4)n3-c3c(OC)cccc3OC)ncc(F)c12 |r,wU:9.9,(9.72,4,;8.06,3.64,;6.92,4.91,;5.25,4.55,;4.63,3.15,;3.09,3.31,;2.77,4.82,;1.44,5.59,;.11,4.82,;-1.23,5.59,;-1.23,7.13,;-2.56,4.82,;-3.33,3.48,;-1.79,3.48,;-3.65,5.9,;-5.11,5.43,;-5.59,3.96,;-7.13,3.96,;-7.61,5.43,;-9.07,5.9,;-9.55,7.37,;-11.09,7.37,;-11.56,5.9,;-10.32,5,;-6.36,6.33,;-6.36,7.87,;-5.03,8.64,;-3.69,7.87,;-2.36,8.64,;-5.03,10.18,;-6.36,10.95,;-7.69,10.18,;-7.69,8.64,;-9.03,7.87,;-10.36,8.64,;1.44,7.13,;2.77,7.9,;4.11,7.13,;5.44,7.9,;4.11,5.59,)| Show InChI InChI=1S/C25H26FN7O6S/c1-15(11-17-21-22(16(26)12-27-17)32(13-28-21)14-36-2)40(34,35)31-25-30-29-24(20-9-6-10-39-20)33(25)23-18(37-3)7-5-8-19(23)38-4/h5-10,12-13,15H,11,14H2,1-4H3,(H,30,31)/t15-/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	0.770	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)
					More data for this Ligand-Target Pair