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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 = 'BDBM50245093'   
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))		BDBM50245093
PNG
((5R,9R,13S,14S)-17-cyclopropylmethyl-6,7-didehydro...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2cccc3CCCn1c23 |r|
Show InChI InChI=1S/C30H32N2O3/c1-34-22-10-9-19-14-23-30(33)15-21-20-6-2-4-18-5-3-12-32(25(18)20)26(21)28-29(30,24(19)27(22)35-28)11-13-31(23)16-17-7-8-17/h2,4,6,9-10,17,23,28,33H,3,5,7-8,11-16H2,1H3/t23-,28+,29+,30-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.29E+3n/an/an/an/an/an/an/an/a



Toray Industries, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from kappa opioid receptor in Hartley guinea pig brain membrane

J Med Chem 51: 4404-11 (2008)


Article DOI: 10.1021/jm701440h
BindingDB Entry DOI: 10.7270/Q2PG1SN2
More data for this
Ligand-Target Pair