BDBM50049314 CHEMBL350366::N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl-piperazin-1-yl)-acetylamino]-propyl}-N-(2-methoxy-benzyl)-benzamide

SMILES: COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)c1ccccc1

InChI Key: InChIKey=KQMGYOWNUFZGRP-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 = 50049314   

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))	BDBM50049314 (CHEMBL350366 | N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(=O)c1ccccc1 Show InChI InChI=1S/C38H41N5O3/c1-46-36-19-11-8-14-30(36)26-43(38(45)29-12-4-2-5-13-29)27-32(24-31-25-39-35-18-10-9-17-34(31)35)40-37(44)28-41-20-22-42(23-21-41)33-15-6-3-7-16-33/h2-19,25,32,39H,20-24,26-28H2,1H3,(H,40,44)	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	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
					More data for this Ligand-Target Pair