BDBM50473834 CHEMBL324106::MEN-11733

SMILES: O=C1CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1

InChI Key: InChIKey=PYDMJPPYNOEKHO-ULNSLHSMSA-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 = 50473834   

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))	BDBM50473834 (CHEMBL324106 | MEN-11733) Show SMILES O=C1CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 Show InChI InChI=1S/C33H35N5O4/c39-30-16-9-17-34-31(40)27(18-22-10-3-1-4-11-22)37-32(41)28(19-23-12-5-2-6-13-23)38-33(42)29(36-30)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-29,35H,9,16-20H2,(H,34,40)(H,36,39)(H,37,41)(H,38,42)/t27-,28+,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Inhibitory affinity constant (pKi) against tachykinin receptor 2 (NK-2R) using heterologous competition experiments				J Med Chem 45: 3418-29 (2002) Article DOI: 10.1021/jm011127h BindingDB Entry DOI: 10.7270/Q2765J28
					More data for this Ligand-Target Pair