Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50002999'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50002999 (CHEMBL397341) Show SMILES NCCOCCOCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H40N4O5S/c36-16-18-43-20-21-44-19-17-37-32(40)29(22-25-8-2-1-3-9-25)38-34(42)35(15-14-26-10-4-5-12-28(26)24-35)39-33(41)31-23-27-11-6-7-13-30(27)45-31/h1-13,23,29H,14-22,24,36H2,(H,37,40)(H,38,42)(H,39,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
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