Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50099533'   

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))	BDBM50099533 (3-[5-Chloro-2-(4-chloro-phenyl)-1-cyclopropylmethy...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)CCc1c(-c2ccc(Cl)cc2)n(CC2CC2)c2ccc(Cl)cc12 Show InChI InChI=1S/C32H33Cl2N3O2/c1-39-30-5-3-2-4-29(30)35-16-18-36(19-17-35)31(38)15-13-26-27-20-25(34)12-14-28(27)37(21-22-6-7-22)32(26)23-8-10-24(33)11-9-23/h2-5,8-12,14,20,22H,6-7,13,15-19,21H2,1H3	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	103	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories 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: 1237-40 (2001) BindingDB Entry DOI: 10.7270/Q2JS9PQM
					More data for this Ligand-Target Pair