BDBM50066236 (S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-(3,4-dichloro-phenyl)-ethyl]-amide::CHEMBL106217

SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl

InChI Key: InChIKey=GGDPOHRNDFHTNA-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 = 50066236   

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))	BDBM50066236 ((S)-1-(2-Chloro-benzylthiocarbamoyl)-pyrrolidine-2...) Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl Show InChI InChI=1S/C30H31Cl3N4O2S/c1-36(19-20-8-3-2-4-9-20)29(39)26(17-21-13-14-24(32)25(33)16-21)35-28(38)27-12-7-15-37(27)30(40)34-18-22-10-5-6-11-23(22)31/h2-6,8-11,13-14,16,26-27H,7,12,15,17-19H2,1H3,(H,34,40)(H,35,38)/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	5	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