Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50357013'   

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))	BDBM50357013 (CHEMBL1916635) Show SMILES COC(=O)C1=C2CCC(N2C(=O)C(C1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1 |r,c:4| Show InChI InChI=1S/C39H41N5O7/c1-43(23-25-11-5-3-6-12-25)36(46)31(18-17-27-22-40-30-16-10-9-15-28(27)30)41-35(45)34-20-19-33-29(38(48)50-2)21-32(37(47)44(33)34)42-39(49)51-24-26-13-7-4-8-14-26/h3-16,22,31-32,34,40H,17-21,23-24H2,1-2H3,(H,41,45)(H,42,49)/t31-,32?,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Botswana Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 receptor expressed in CHO cells				Eur J Med Chem 46: 5237-57 (2011) Article DOI: 10.1016/j.ejmech.2011.08.042 BindingDB Entry DOI: 10.7270/Q2ZG6SNF
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