BDBM50066182 (S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2,2-diphenyl-ethyl]-amide::CHEMBL106106

SMILES: CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=DXCJHMJLWTYOCC-WEZIJMHWSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066182   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Substance-P receptor (Homo sapiens (Human))	BDBM50066182 ((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H37ClN4O2S/c1-40(25-26-14-5-2-6-15-26)35(43)33(32(27-16-7-3-8-17-27)28-18-9-4-10-19-28)39-34(42)31-22-13-23-41(31)36(44)38-24-29-20-11-12-21-30(29)37/h2-12,14-21,31-33H,13,22-25H2,1H3,(H,38,44)(H,39,42)/t31-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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
					More data for this Ligand-Target Pair