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PubMed code 19349178

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))		BDBM50277471
PNG
((1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxy...)
Show SMILES OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
Show InChI InChI=1S/C21H27NO3/c23-13-19-5-6-21(25-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-22(18)11-14-1-2-14/h3-4,10,14,18,23-24H,1-2,5-9,11-13H2/t18-,19-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
 0.102n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50277471
PNG
((1R,9R,10S,13R)-17-(cyclopropylmethyl)-13-(hydroxy...)
Show SMILES OC[C@]12CC[C@@]3(O1)[C@H]1Cc4ccc(O)cc4[C@]3(C2)CCN1CC1CC1 |r,THB:21:20:5:15.9.8|
Show InChI InChI=1S/C21H27NO3/c23-13-19-5-6-21(25-19)18-9-15-3-4-16(24)10-17(15)20(21,12-19)7-8-22(18)11-14-1-2-14/h3-4,10,14,18,23-24H,1-2,5-9,11-13H2/t18-,19-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
 0.145n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50277470
PNG
((1R,9R,10S,13R)-18-(cyclopropylmethyl)-4-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
Show InChI InChI=1S/C21H25NO3/c23-15-4-3-14-9-19-21-6-5-18(25-21)17(24)11-20(21,16(14)10-15)7-8-22(19)12-13-1-2-13/h3-4,10,13,18-19,23H,1-2,5-9,11-12H2/t18-,19-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
 0.233n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum

Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50277470
PNG
((1R,9R,10S,13R)-18-(cyclopropylmethyl)-4-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)[C@H]5CC[C@@]34O5)c2c1 |r,THB:8:7:21:23.4.5|
Show InChI InChI=1S/C21H25NO3/c23-15-4-3-14-9-19-21-6-5-18(25-21)17(24)11-20(21,16(14)10-15)7-8-22(19)12-13-1-2-13/h3-4,10,13,18-19,23H,1-2,5-9,11-12H2/t18-,19-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.397n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain

Bioorg Med Chem Lett 19: 2416-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.068
BindingDB Entry DOI: 10.7270/Q2C24XBW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%