BindingDB logo
myBDB logout

BDBM50473825 CHEMBL113765::MEN-11983

SMILES: O=C(N[C@H]1CCCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)OCc1ccccc1

InChI Key: InChIKey=JVJBHFANFZGBQF-FSEITFBQSA-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 = 50473825   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neurokinin 2 receptor


(Homo sapiens (Human))		BDBM50473825
PNG
(CHEMBL113765 | MEN-11983)
Show SMILES O=C(N[C@H]1CCCCN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)OCc1ccccc1
Show InChI InChI=1S/C41H43N5O5/c47-38-35(45-41(50)51-28-31-18-8-3-9-19-31)22-12-13-23-46(27-30-16-6-2-7-17-30)40(49)37(24-29-14-4-1-5-15-29)44-39(48)36(43-38)25-32-26-42-34-21-11-10-20-33(32)34/h1-11,14-21,26,35-37,42H,12-13,22-25,27-28H2,(H,43,47)(H,44,48)(H,45,50)/t35-,36-,37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5n/an/an/an/an/an/an/an/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