BDBM50418024 CHEMBL1683146

SMILES: O=C(NCC1CCN(CC2CCOCC2)CC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)-n1cccc1

InChI Key: InChIKey=PDKJNWBUASGYBB-UMSFTDKQSA-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 = 50418024   

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))	BDBM50418024 (CHEMBL1683146) Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)-n1cccc1 |r| Show InChI InChI=1S/C38H49N5O4/c44-35(32-10-12-33(13-11-32)43-20-6-7-21-43)41-38(18-4-5-19-38)37(46)40-34(26-29-8-2-1-3-9-29)36(45)39-27-30-14-22-42(23-15-30)28-31-16-24-47-25-17-31/h1-3,6-13,20-21,30-31,34H,4-5,14-19,22-28H2,(H,39,45)(H,40,46)(H,41,44)/t34-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.234	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 [125I]neurokinin A from human NK2 receptor after 30 mins				Bioorg Med Chem Lett 21: 1807-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.074 BindingDB Entry DOI: 10.7270/Q2CN755J
					More data for this Ligand-Target Pair