Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50290462'   

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 (Oryctolagus cuniculus)	BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.				Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50290462 (CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...) Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic potency for NK-2 receptor was determined in vitro, using isolated rabbit pulmonary artery.				Bioorg Med Chem Lett 7: 203-208 (1997) Article DOI: 10.1016/S0960-894X(96)00604-X BindingDB Entry DOI: 10.7270/Q2VD6ZGN
					More data for this Ligand-Target Pair