null

SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(cn2)C#N)nnc1-c1ccc(C)o1

InChI Key: InChIKey=MXKBXBPANDBHJT-INIZCTEOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 456575   

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))	BDBM456575 (US10736883, Example 12.0) Show SMILES COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(cn2)C#N)nnc1-c1ccc(C)o1 |r,wU:16.17,(1.63,-4.1,;.54,-5.19,;-.95,-4.79,;-1.34,-3.3,;-2.83,-2.9,;-3.92,-3.99,;-3.52,-5.48,;-4.61,-6.57,;-6.1,-6.17,;-2.03,-5.88,;-1.64,-7.37,;-.17,-7.84,;1.16,-7.07,;2.5,-7.84,;3.83,-8.61,;1.73,-9.18,;3.27,-6.51,;2.5,-5.17,;4.81,-6.51,;5.58,-5.17,;7.12,-5.17,;7.89,-3.84,;7.14,-2.46,;5.58,-2.51,;4.81,-3.84,;7.91,-1.13,;8.68,.21,;-.17,-9.38,;-1.64,-9.86,;-2.54,-8.61,;-4.03,-8.21,;-5.09,-7.12,;-6.4,-7.44,;-6.4,-8.98,;-7.64,-9.89,;-4.93,-9.46,)| Show InChI InChI=1S/C24H24N6O5S/c1-15-8-11-21(35-15)23-27-28-24(30(23)22-19(33-3)6-5-7-20(22)34-4)29-36(31,32)16(2)12-18-10-9-17(13-25)14-26-18/h5-11,14,16H,12H2,1-4H3,(H,28,29)/t16-/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	0.150	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