Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50066212'   

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))	BDBM50066212 ((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl Show InChI InChI=1S/C33H36ClN5O2S/c1-37-22-25(26-14-7-9-16-29(26)37)19-28(32(41)38(2)21-23-11-4-3-5-12-23)36-31(40)30-17-10-18-39(30)33(42)35-20-24-13-6-8-15-27(24)34/h3-9,11-16,22,28,30H,10,17-21H2,1-2H3,(H,35,42)(H,36,40)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...				J Med Chem 41: 3159-73 (1998) Article DOI: 10.1021/jm970499g BindingDB Entry DOI: 10.7270/Q2BZ66QJ
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