Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50099513'   

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))	BDBM50099513 (1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chlo...) Show SMILES Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1ccccn1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H34ClN3O2/c1-38-32-16-12-27(31-9-5-6-20-37-31)23-30(32)29(34(38)26-10-13-28(36)14-11-26)15-17-33(40)39-21-18-35(41,19-22-39)24-25-7-3-2-4-8-25/h2-14,16,20,23,41H,15,17-19,21-22,24H2,1H3	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Neuroscience Research Centre Curated by ChEMBL					Assay Description Concentration required for displacement of [125I]-labeled substance P from cloned hNK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 11: 1233-6 (2001) BindingDB Entry DOI: 10.7270/Q2PK0FDF
					More data for this Ligand-Target Pair