BDBM50041559 CHEMBL3358420

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)NC#N)OCc1ccccc1

InChI Key: InChIKey=MIXWJGSHUABFQY-INIZCTEOSA-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 = 50041559   

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))	BDBM50041559 (CHEMBL3358420) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)NC#N)OCc1ccccc1 |r| Show InChI InChI=1S/C18H17N3O3/c19-13-20-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-12-15-9-5-2-6-10-15/h1-10,16H,11-12H2,(H,20,22)(H,21,23)/t16-/m0/s1	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis				ACS Med Chem Lett 5: 1272-7 (2014) Article DOI: 10.1021/ml5002954 BindingDB Entry DOI: 10.7270/Q2Q52R7V
					More data for this Ligand-Target Pair