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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 = 'BDBM50422792'   
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))		BDBM50422792
PNG
(CHEMBL202478)
Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CC(O)=O)Cc2c1
Show InChI InChI=1S/C32H39N3O3/c1-23-19-35(24(2)18-34(23)20-25-8-5-4-6-9-25)32(27-10-7-11-30(17-27)38-3)28-13-12-26-14-15-33(22-31(36)37)21-29(26)16-28/h4-13,16-17,23-24,32H,14-15,18-22H2,1-3H3,(H,36,37)/t23-,24+,32+/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.26E+3n/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