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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50422795'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50422795
PNG
(CHEMBL202585)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(Cc3c2)C(=O)CC(O)=O)[C@@H](C)CN1Cc1ccccc1
Show InChI InChI=1S/C32H37N3O4/c1-22-19-35(23(2)18-34(22)20-24-7-4-3-5-8-24)32(26-9-6-10-29(36)16-26)27-12-11-25-13-14-33(21-28(25)15-27)30(37)17-31(38)39/h3-12,15-16,22-23,32,36H,13-14,17-21H2,1-2H3,(H,38,39)/t22-,23+,32+/m1/s1
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PC cid
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Similars
Article
PubMed
n/an/a 398n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in myentric plexus muscle from guinea pig

Bioorg Med Chem Lett 16: 905-10 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2
More data for this
Ligand-Target Pair