BDBM50066240 (S)-1-(3,5-Bis-trifluoromethyl-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide::CHEMBL108448

SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=OBQDMMSVYONKRG-SVBPBHIXSA-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 = 50066240   

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))	BDBM50066240 ((S)-1-(3,5-Bis-trifluoromethyl-benzylthiocarbamoyl...) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C32H32F6N4O2S/c1-41(20-22-11-6-3-7-12-22)29(44)26(17-21-9-4-2-5-10-21)40-28(43)27-13-8-14-42(27)30(45)39-19-23-15-24(31(33,34)35)18-25(16-23)32(36,37)38/h2-7,9-12,15-16,18,26-27H,8,13-14,17,19-20H2,1H3,(H,39,45)(H,40,43)/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	79	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