Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50415969'   

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))	BDBM50415969 (CHEMBL1083560) Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H52N4O3/c45-38(36-17-15-35(16-18-36)34-12-5-2-6-13-34)42-40(21-7-8-22-40)39(46)41-37(30-32-10-3-1-4-11-32)14-9-23-43-24-26-44(27-25-43)31-33-19-28-47-29-20-33/h1-6,10-13,15-18,33,37H,7-9,14,19-31H2,(H,41,46)(H,42,45)/t37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	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
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