BDBM50066167 (S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid ((S)-1-{[2-(1H-indol-3-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-ethyl)-amide::CHEMBL326429

SMILES: CN(CCc1c[nH]c2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl

InChI Key: InChIKey=BQCKRPSACBCWTC-KYJUHHDHSA-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 = 50066167   

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))	BDBM50066167 ((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...) Show SMILES CN(CCc1c[nH]c2ccccc12)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl Show InChI InChI=1S/C33H36ClN5O2S/c1-38(19-17-24-21-35-28-15-8-6-13-26(24)28)32(41)29(20-23-10-3-2-4-11-23)37-31(40)30-16-9-18-39(30)33(42)36-22-25-12-5-7-14-27(25)34/h2-8,10-15,21,29-30,35H,9,16-20,22H2,1H3,(H,36,42)(H,37,40)/t29-,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	48	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