Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50415942'   

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))	BDBM50415942 (CHEMBL1083871) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-13-14-31-25-34(45-33(31)23-28)35(43)40-37(15-5-6-16-37)36(44)39-32(24-29-9-3-2-4-10-29)12-8-18-41-19-21-42(22-20-41)27-30-11-7-17-38-26-30/h2-4,7,9-11,13-14,17,23,25-26,32H,5-6,8,12,15-16,18-22,24,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair