BDBM50415926 CHEMBL1084158

SMILES: Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1

InChI Key: InChIKey=YXXLMZIMNOUVHT-PMERELPUSA-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 = 50415926   

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))	BDBM50415926 (CHEMBL1084158) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/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