Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50369385'   

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))	BDBM50369385 (CHEMBL1169523) Show SMILES COc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H36N4O3S/c1-34(22-24-14-7-4-8-15-24)30(37)26(20-23-12-5-3-6-13-23)33-29(36)27-17-11-19-35(27)31(39)32-21-25-16-9-10-18-28(25)38-2/h3-10,12-16,18,26-27H,11,17,19-22H2,1-2H3,(H,32,39)(H,33,36)/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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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