Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.5 BDBM50338382

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50338382 (3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(pyrid...) Show SMILES CC[C@H](NC(=O)c1c(c(nc2ccccc12)-c1cccnc1)S(C)=O)c1ccccc1 |r| Show InChI InChI=1S/C25H23N3O2S/c1-3-20(17-10-5-4-6-11-17)28-25(29)22-19-13-7-8-14-21(19)27-23(24(22)31(2)30)18-12-9-15-26-16-18/h4-16,20H,3H2,1-2H3,(H,28,29)/t20-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human NK3 receptor expressed in CHO cells assessed as inhibition of senktide-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 21: 1896-9 (2011) Article DOI: 10.1016/j.bmcl.2010.11.003 BindingDB Entry DOI: 10.7270/Q2XP7586
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