BDBM50066216 (S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid {(S)-1-[(3,5-bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-2-phenyl-ethyl}-amide::CHEMBL110688

SMILES: CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl

InChI Key: InChIKey=GSQYJDJNLLCNNJ-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 = 50066216   

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))	BDBM50066216 ((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl Show InChI InChI=1S/C32H31ClF6N4O2S/c1-42(19-21-14-23(31(34,35)36)17-24(15-21)32(37,38)39)29(45)26(16-20-8-3-2-4-9-20)41-28(44)27-12-7-13-43(27)30(46)40-18-22-10-5-6-11-25(22)33/h2-6,8-11,14-15,17,26-27H,7,12-13,16,18-19H2,1H3,(H,40,46)(H,41,44)/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	27	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