BindingDB logo
myBDB logout

PubMed code 20801035

Compile data set for download or QSAR
Found 22 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


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327511
PNG
((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...)
Show SMILES COC(=O)[C@@H]1CC(C(O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(27)30-15(11-5-7-29-10-11)9-22(13,2)17(21)16(23)12(18(24)25)8-14(21)19(26)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H,24,25)/t12?,13-,14-,15-,17-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 24.3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327509
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 42.3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327505
PNG
((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...)
Show SMILES COC(=O)[C@@H]1CCC(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H26O6/c1-20-8-6-14-19(24)27-16(12-7-9-26-11-12)10-21(14,2)17(20)15(22)5-4-13(20)18(23)25-3/h7,9,11,13-14,16-17H,4-6,8,10H2,1-3H3/t13-,14-,16-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 51.6n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327512
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Chloro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 167n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327514
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25FO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 197n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327507
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-iodo-4a...)
Show SMILES COC(=O)[C@@H]1C[C@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25IO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 198n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327506
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-3-Furan-3-yl-6-iodo-4a...)
Show SMILES COC(=O)[C@@H]1C[C@@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25IO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 245n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327510
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 422n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327508
PNG
((2R,3aS,6aS,7R,9R)-9-Bromo-2-furan-3-yl-3a,6a-dime...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Br)C2=C3[C@@]1(C)CCC(C(O)=O)[C@]3(C)C[C@@H](O2)c1ccoc1 |r,c:8|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12(18(23)24)21(2)9-15(11-5-7-27-10-11)28-16(17(20)21)14(22)8-13(20)19(25)26-3/h5,7,10,12-15H,4,6,8-9H2,1-3H3,(H,23,24)/t12?,13-,14+,15+,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327513
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Chloro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327515
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25FO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327506
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-3-Furan-3-yl-6-iodo-4a...)
Show SMILES COC(=O)[C@@H]1C[C@@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25IO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 239n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 7.5n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327512
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Chloro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Cl)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 673n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327511
PNG
((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...)
Show SMILES COC(=O)[C@@H]1CC(C(O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(27)30-15(11-5-7-29-10-11)9-22(13,2)17(21)16(23)12(18(24)25)8-14(21)19(26)28-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3,(H,24,25)/t12?,13-,14-,15-,17-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 83.3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327505
PNG
((3S,4aR,4bS,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimeth...)
Show SMILES COC(=O)[C@@H]1CCC(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H26O6/c1-20-8-6-14-19(24)27-16(12-7-9-26-11-12)10-21(14,2)17(20)15(22)5-4-13(20)18(23)25-3/h7,9,11,13-14,16-17H,4-6,8,10H2,1-3H3/t13-,14-,16-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 266n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327510
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.97E+3n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327514
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Fluoro-3-furan-3-yl-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](F)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25FO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 539n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327509
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 282n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50327507
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-6-iodo-4a...)
Show SMILES COC(=O)[C@@H]1C[C@H](I)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25IO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 648n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding

Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%