Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50003011'   

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))	BDBM50003011 (CHEMBL398982) Show SMILES NCCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C30H38N4O5S/c31-14-16-38-18-19-39-17-15-32-27(35)24(20-22-8-2-1-3-9-22)33-29(37)30(12-6-7-13-30)34-28(36)26-21-23-10-4-5-11-25(23)40-26/h1-5,8-11,21,24H,6-7,12-20,31H2,(H,32,35)(H,33,37)(H,34,36)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	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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