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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50102710'   
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))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
BindingDB Entry DOI: 10.7270/Q2319WM4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to opioid receptor kappa 1 of guinea pig brain, using [3H]U-69593 as radioligand


J Med Chem 44: 2687-90 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
PDB

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UniChem

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Article
PubMed
3.84n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound for Opioid receptor kappa 1 was determined using [3H]U-69593 as radioligand from guinea pig caudate


J Med Chem 47: 1070-3 (2004)


Article DOI: 10.1021/jm030467v
BindingDB Entry DOI: 10.7270/Q2BV7HC4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
PDB

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4.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes


J Med Chem 44: 2687-90 (2001)


BindingDB Entry DOI: 10.7270/Q25T3M58
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S, binding from Opioid receptor kappa 1 in Guinea pig Caudate stimulated by U69,593


J Med Chem 41: 5188-97 (1999)


Article DOI: 10.1021/jm980511k
BindingDB Entry DOI: 10.7270/Q2P26ZT4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity determined on Opioid receptor kappa 1 in Guinea pig brain membranes using radioligand [3H]U-69593


J Med Chem 41: 5188-97 (1999)


Article DOI: 10.1021/jm980511k
BindingDB Entry DOI: 10.7270/Q2P26ZT4
More data for this
Ligand-Target Pair