Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50403993'   

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-P receptor (Homo sapiens (Human))	BDBM50403993 (CHEMBL91418) Show SMILES Cc1cc(C)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C21H24Cl2N2O2/c1-14-9-15(2)11-18(10-14)27-13-21(26)25(16-5-7-24-8-6-16)17-3-4-19(22)20(23)12-17/h3-4,9-12,16,24H,5-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Negative logarithm causing 50% receptor occupancy against tachykinin receptor 1				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50403993 (CHEMBL91418) Show SMILES Cc1cc(C)cc(OCC(=O)N(C2CCNCC2)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C21H24Cl2N2O2/c1-14-9-15(2)11-18(10-14)27-13-21(26)25(16-5-7-24-8-6-16)17-3-4-19(22)20(23)12-17/h3-4,9-12,16,24H,5-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma SA Curated by ChEMBL					Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [3H]-substance P displacement.				Bioorg Med Chem Lett 12: 261-4 (2001) BindingDB Entry DOI: 10.7270/Q2V40WDW
					More data for this Ligand-Target Pair