BindingDB logo
myBDB logout

BDBM50472919 CHEMBL337628

SMILES: O=C1CC(Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1

InChI Key: InChIKey=NJIMLLFTUQFKQV-UTARDKEYSA-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 = 50472919   
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))		BDBM50472919
PNG
(CHEMBL337628)
Show SMILES O=C1CC(Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN1
Show InChI InChI=1S/C33H35N5O4/c39-30-20-24(17-22-9-3-1-4-10-22)31(40)37-29(19-25-21-36-27-14-8-7-13-26(25)27)33(42)38-28(32(41)35-16-15-34-30)18-23-11-5-2-6-12-23/h1-14,21,24,28-29,36H,15-20H2,(H,34,39)(H,35,41)(H,37,40)(H,38,42)/t24?,28-,29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 631n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2

J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair