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BDBM50473824 CHEMBL406024::MEN-11959

SMILES: O=C(CN1CCC(CC1)N1CCCCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O

InChI Key: InChIKey=KGHTWDQPGSOHJN-UDRILRLSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50473824   
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))		BDBM50473824
PNG
(CHEMBL406024 | MEN-11959)
Show SMILES O=C(CN1CCC(CC1)N1CCCCC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1S/C45H56N8O5/c54-41-27-40(50-42(55)30-52-22-18-35(19-23-52)53-20-10-3-11-21-53)43(56)47-29-34(24-31-12-4-1-5-13-31)48-44(57)38(25-32-14-6-2-7-15-32)51-45(58)39(49-41)26-33-28-46-37-17-9-8-16-36(33)37/h1-2,4-9,12-17,28,34-35,38-40,46H,3,10-11,18-27,29-30H2,(H,47,56)(H,48,57)(H,49,54)(H,50,55)(H,51,58)/t34-,38-,39-,40+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 0.398n/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