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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50404014'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-K receptor


(Homo sapiens (Human))		BDBM50404014
PNG
(CHEMBL159585)
Show SMILES O=C(C[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C45H55N7O5/c53-41-27-33(28-42(54)52-22-18-36(19-23-52)51-20-10-3-11-21-51)43(55)47-30-35(24-31-12-4-1-5-13-31)48-44(56)39(25-32-14-6-2-7-15-32)50-45(57)40(49-41)26-34-29-46-38-17-9-8-16-37(34)38/h1-2,4-9,12-17,29,33,35-36,39-40,46H,3,10-11,18-28,30H2,(H,47,55)(H,48,56)(H,49,53)(H,50,57)/t33-,35-,39-,40+/m1/s1
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Similars
PubMed
 5n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)

Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair