BDBM50049352 CHEMBL165007::N-(1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-benzo[b]thiophen-3-yl-ethyl)-2-(4-phenyl-piperazin-1-yl)-acetamide

SMILES: COc1ccccc1CN(CC(Cc1csc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O

InChI Key: InChIKey=RLZAHUJYUFOJFC-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 = 50049352   

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))	BDBM50049352 (CHEMBL165007 | N-(1-{[Acetyl-(2-methoxy-benzyl)-am...) Show SMILES COc1ccccc1CN(CC(Cc1csc2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O Show InChI InChI=1S/C33H38N4O3S/c1-25(38)37(21-26-10-6-8-14-31(26)40-2)22-28(20-27-24-41-32-15-9-7-13-30(27)32)34-33(39)23-35-16-18-36(19-17-35)29-11-4-3-5-12-29/h3-15,24,28H,16-23H2,1-2H3,(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.18	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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