Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50415929'   

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))	BDBM50415929 (CHEMBL1083880) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)c1cccn1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O3S/c1-27-14-15-29-26-33(46-32(29)24-27)34(43)39-37(16-6-7-17-37)36(45)38-30(25-28-10-4-3-5-11-28)12-8-19-41-20-22-42(23-21-41)35(44)31-13-9-18-40(31)2/h3-5,9-11,13-15,18,24,26,30H,6-8,12,16-17,19-23,25H2,1-2H3,(H,38,45)(H,39,43)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	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