BDBM50101418 CHEMBL72895::[1-(1H-Indol-3-ylmethyl)-3-methyl-1-(1-phenyl-ethylcarbamoyl)-butyl]-carbamic acid benzofuran-2-ylmethyl ester

SMILES: CC(C)C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1

InChI Key: InChIKey=AZCUMNBSXUJQAB-FLASPHMUSA-N

Data: 1 IC50

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 = 50101418   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50101418 (CHEMBL72895 | [1-(1H-Indol-3-ylmethyl)-3-methyl-1-...) Show SMILES CC(C)C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCc1cc2ccccc2o1)C(=O)N[C@@H](C)c1ccccc1 Show InChI InChI=1S/C33H35N3O4/c1-22(2)18-33(19-26-20-34-29-15-9-8-14-28(26)29,31(37)35-23(3)24-11-5-4-6-12-24)36-32(38)39-21-27-17-25-13-7-10-16-30(25)40-27/h4-17,20,22-23,34H,18-19,21H2,1-3H3,(H,35,37)(H,36,38)/t23-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.79	n/a	n/a	n/a	n/a	n/a	n/a
Cambridge University Forvie Site Curated by ChEMBL					Assay Description Inhibition of specific binding at tachykinin receptor 1				J Med Chem 44: 2276-85 (2001) BindingDB Entry DOI: 10.7270/Q2XS5TN8
					More data for this Ligand-Target Pair