BDBM50415947 CHEMBL1083865

SMILES: Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](COCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1

InChI Key: InChIKey=NQMPGNKDRXIWDH-MGBGTMOVSA-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 = 50415947   

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))	BDBM50415947 (CHEMBL1083865) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](COCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O4S/c1-28-9-10-32-25-35(46-34(32)23-28)36(42)40-38(16-5-6-17-38)37(43)39-33(24-30-7-3-2-4-8-30)27-45-22-13-29-11-18-41(19-12-29)26-31-14-20-44-21-15-31/h2-4,7-10,23,25,29,31,33H,5-6,11-22,24,26-27H2,1H3,(H,39,43)(H,40,42)/t33-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	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