Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50066237'   

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))	BDBM50066237 ((S)-1-(2-Methoxy-benzylthiocarbamoyl)-pyrrolidine-...) Show SMILES COc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H29N3O2S/c1-32-24-17-9-8-15-22(24)19-28-27(33)30-18-10-16-23(30)26(31)29-25(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-15,17,23,25H,10,16,18-19H2,1H3,(H,28,33)(H,29,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Medical Sciences Curated by ChEMBL					Assay Description In vitro binding affinity towards Tachykinin receptor 1 to displace [3H][Sar9Met(O2)11]-SP (1 nM) binding to rabbit whole brain membranes				J Med Chem 41: 3159-73 (1998) Article DOI: 10.1021/jm970499g BindingDB Entry DOI: 10.7270/Q2BZ66QJ
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