BDBM50446427 CHEMBL3109772

SMILES: COCCOc1ncc(cc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@H]1O

InChI Key: InChIKey=NWVOYLYQWIHTSN-RTBURBONSA-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 = 50446427   

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 2 receptor (Homo sapiens (Human))	BDBM50446427 (CHEMBL3109772) Show SMILES COCCOc1ncc(cc1-c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@H]1O |r| Show InChI InChI=1S/C21H25ClN2O4/c1-27-10-11-28-21-17(14-6-8-16(22)9-7-14)12-15(13-23-21)20(26)24-18-4-2-3-5-19(18)25/h6-9,12-13,18-19,25H,2-5,10-11H2,1H3,(H,24,26)/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Antagonist activity at human NK2 receptor				J Med Chem 56: 9874-96 (2013) Article DOI: 10.1021/jm4010708 BindingDB Entry DOI: 10.7270/Q2PC33V6
					More data for this Ligand-Target Pair