BDBM50049310 CHEMBL423464::N-[1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-methyl-piperazin-1-yl)-acetamide

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

InChI Key: InChIKey=METKAKBIYIJIEG-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 = 50049310   

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))	BDBM50049310 (CHEMBL423464 | N-[1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(C)CC1)C(C)=O Show InChI InChI=1S/C28H37N5O3/c1-21(34)33(18-22-8-4-7-11-27(22)36-3)19-24(16-23-17-29-26-10-6-5-9-25(23)26)30-28(35)20-32-14-12-31(2)13-15-32/h4-11,17,24,29H,12-16,18-20H2,1-3H3,(H,30,35)	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	5.30	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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