BDBM50415967 CHEMBL1083848

SMILES: Cc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1

InChI Key: InChIKey=POQVHRORJJLKKH-YTTGMZPUSA-N

Data: 1 KI

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 = 50415967   

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))	BDBM50415967 (CHEMBL1083848) Show SMILES Cc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O4/c1-28-11-12-33-31(24-28)26-34(45-33)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche Curated by ChEMBL					Assay Description Displacement of [3H]neurokinin A from human NK2 receptor				J Med Chem 53: 4148-65 (2010) Article DOI: 10.1021/jm100176s BindingDB Entry DOI: 10.7270/Q2MP54JT
					More data for this Ligand-Target Pair