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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50001114'   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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PubMed
 6.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase II

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair