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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 = 'BDBM50451119'   
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


(Homo sapiens (Human))		BDBM50451119
PNG
(CHEMBL2115427)
Show SMILES Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O4/c1-15-9-22(31)10-16(2)23(15)13-24(29)26(32)30-14-20-11-18(17-5-7-21(28)8-6-17)3-4-19(20)12-25(30)27(33)34/h3-11,24-25,31H,12-14,29H2,1-2H3,(H,33,34)/t24-,25+/m1/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN

Bioorg Med Chem Lett 10: 167-70 (2000)


BindingDB Entry DOI: 10.7270/Q2RV0MXM
More data for this
Ligand-Target Pair