BDBM50049337 CHEMBL163133::N-[1-[(Acetyl-benzyl-amino)-methyl]-2-(1H-indol-3-yl)-ethyl]-2-(4-phenyl-piperazin-1-yl)-acetamide

SMILES: CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1

InChI Key: InChIKey=UDTKEHZAOFHKNB-UHFFFAOYSA-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 = 50049337   

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))	BDBM50049337 (CHEMBL163133 | N-[1-[(Acetyl-benzyl-amino)-methyl]...) Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C32H37N5O2/c1-25(38)37(22-26-10-4-2-5-11-26)23-28(20-27-21-33-31-15-9-8-14-30(27)31)34-32(39)24-35-16-18-36(19-17-35)29-12-6-3-7-13-29/h2-15,21,28,33H,16-20,22-24H2,1H3,(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand				J Med Chem 39: 736-48 (1996) Article DOI: 10.1021/jm950616c BindingDB Entry DOI: 10.7270/Q20864C7
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