BindingDB logo
myBDB logout

PubMed code 21788135

Compile data set for download or QSAR
Found 40 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
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352114
PNG
(CHEMBL1824509 | CHEMBL1852788)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352114
PNG
(CHEMBL1824509 | CHEMBL1852788)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352115
PNG
(CHEMBL1824510 | CHEMBL1852385)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Br)c1
Show InChI InChI=1S/C26H28BrN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352116
PNG
(CHEMBL1824512 | CHEMBL1852558)
Show SMILES Cc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-12-18(7-10-28-15)25(32)29-19-6-8-27(33)21-13-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,12,16,19,21,24,31,33H,2-3,6,8-9,11,13-14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352118
PNG
(CHEMBL1824513 | CHEMBL1852602)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Br
Show InChI InChI=1S/C26H28BrN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352121
PNG
(CHEMBL1824511 | CHEMBL1852555)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1
Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352119
PNG
(CHEMBL1824515 | CHEMBL1852393)
Show SMILES Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-13-28-10-7-18(15)25(32)29-19-6-8-27(33)21-12-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,13,16,19,21,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352116
PNG
(CHEMBL1824512 | CHEMBL1852558)
Show SMILES Cc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-12-18(7-10-28-15)25(32)29-19-6-8-27(33)21-13-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,12,16,19,21,24,31,33H,2-3,6,8-9,11,13-14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.580n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352115
PNG
(CHEMBL1824510 | CHEMBL1852385)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Br)c1
Show InChI InChI=1S/C26H28BrN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352117
PNG
(CHEMBL1824514 | CHEMBL1852672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Cl
Show InChI InChI=1S/C26H28ClN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352122
PNG
(CHEMBL1824517 | CHEMBL1852458)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccncc1
Show InChI InChI=1S/C28H32N4O5/c33-20-4-3-18-13-21-28(36)8-5-19(31-22(34)14-30-26(35)17-6-10-29-11-7-17)25-27(28,23(18)24(20)37-25)9-12-32(21)15-16-1-2-16/h3-4,6-7,10-11,16,19,21,25,33,36H,1-2,5,8-9,12-15H2,(H,30,35)(H,31,34)/t19-,21-,25+,27+,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352120
PNG
(CHEMBL1824516 | CHEMBL1852814)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1
Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.850n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352123
PNG
(CHEMBL1824518 | CHEMBL1852475)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352121
PNG
(CHEMBL1824511 | CHEMBL1852555)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1
Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352118
PNG
(CHEMBL1824513 | CHEMBL1852602)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Br
Show InChI InChI=1S/C26H28BrN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352123
PNG
(CHEMBL1824518 | CHEMBL1852475)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352120
PNG
(CHEMBL1824516 | CHEMBL1852814)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1
Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352117
PNG
(CHEMBL1824514 | CHEMBL1852672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Cl
Show InChI InChI=1S/C26H28ClN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352116
PNG
(CHEMBL1824512 | CHEMBL1852558)
Show SMILES Cc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-12-18(7-10-28-15)25(32)29-19-6-8-27(33)21-13-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,12,16,19,21,24,31,33H,2-3,6,8-9,11,13-14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
90n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352119
PNG
(CHEMBL1824515 | CHEMBL1852393)
Show SMILES Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-13-28-10-7-18(15)25(32)29-19-6-8-27(33)21-12-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,13,16,19,21,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
97n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352118
PNG
(CHEMBL1824513 | CHEMBL1852602)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Br
Show InChI InChI=1S/C26H28BrN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352115
PNG
(CHEMBL1824510 | CHEMBL1852385)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Br)c1
Show InChI InChI=1S/C26H28BrN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
174n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50352122
PNG
(CHEMBL1824517 | CHEMBL1852458)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccncc1
Show InChI InChI=1S/C28H32N4O5/c33-20-4-3-18-13-21-28(36)8-5-19(31-22(34)14-30-26(35)17-6-10-29-11-7-17)25-27(28,23(18)24(20)37-25)9-12-32(21)15-16-1-2-16/h3-4,6-7,10-11,16,19,21,25,33,36H,1-2,5,8-9,12-15H2,(H,30,35)(H,31,34)/t19-,21-,25+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
203n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from kappa opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352119
PNG
(CHEMBL1824515 | CHEMBL1852393)
Show SMILES Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-13-28-10-7-18(15)25(32)29-19-6-8-27(33)21-12-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,13,16,19,21,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
274n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352121
PNG
(CHEMBL1824511 | CHEMBL1852555)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1
Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
294n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352117
PNG
(CHEMBL1824514 | CHEMBL1852672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Cl
Show InChI InChI=1S/C26H28ClN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
502n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352122
PNG
(CHEMBL1824517 | CHEMBL1852458)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccncc1
Show InChI InChI=1S/C28H32N4O5/c33-20-4-3-18-13-21-28(36)8-5-19(31-22(34)14-30-26(35)17-6-10-29-11-7-17)25-27(28,23(18)24(20)37-25)9-12-32(21)15-16-1-2-16/h3-4,6-7,10-11,16,19,21,25,33,36H,1-2,5,8-9,12-15H2,(H,30,35)(H,31,34)/t19-,21-,25+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
526n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352114
PNG
(CHEMBL1824509 | CHEMBL1852788)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
602n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352120
PNG
(CHEMBL1824516 | CHEMBL1852814)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1
Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
866n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50352123
PNG
(CHEMBL1824518 | CHEMBL1852475)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.59E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NTI from delta opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352117
PNG
(CHEMBL1824514 | CHEMBL1852672)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Cl
Show InChI InChI=1S/C26H28ClN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352122
PNG
(CHEMBL1824517 | CHEMBL1852458)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CNC(=O)c1ccncc1
Show InChI InChI=1S/C28H32N4O5/c33-20-4-3-18-13-21-28(36)8-5-19(31-22(34)14-30-26(35)17-6-10-29-11-7-17)25-27(28,23(18)24(20)37-25)9-12-32(21)15-16-1-2-16/h3-4,6-7,10-11,16,19,21,25,33,36H,1-2,5,8-9,12-15H2,(H,30,35)(H,31,34)/t19-,21-,25+,27+,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352118
PNG
(CHEMBL1824513 | CHEMBL1852602)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccncc1Br
Show InChI InChI=1S/C26H28BrN3O4/c27-17-12-28-9-6-16(17)24(32)29-18-5-7-26(33)20-11-15-3-4-19(31)22-21(15)25(26,23(18)34-22)8-10-30(20)13-14-1-2-14/h3-4,6,9,12,14,18,20,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t18-,20-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352114
PNG
(CHEMBL1824509 | CHEMBL1852788)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Cl)c1
Show InChI InChI=1S/C26H28ClN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.830n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352121
PNG
(CHEMBL1824511 | CHEMBL1852555)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)CCc1ccncc1
Show InChI InChI=1S/C28H33N3O4/c32-21-5-4-19-15-22-28(34)10-7-20(30-23(33)6-3-17-8-12-29-13-9-17)26-27(28,24(19)25(21)35-26)11-14-31(22)16-18-1-2-18/h4-5,8-9,12-13,18,20,22,26,32,34H,1-3,6-7,10-11,14-16H2,(H,30,33)/t20-,22-,26+,27+,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352119
PNG
(CHEMBL1824515 | CHEMBL1852393)
Show SMILES Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-13-28-10-7-18(15)25(32)29-19-6-8-27(33)21-12-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,13,16,19,21,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352115
PNG
(CHEMBL1824510 | CHEMBL1852385)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccnc(Br)c1
Show InChI InChI=1S/C26H28BrN3O4/c27-20-12-16(6-9-28-20)24(32)29-17-5-7-26(33)19-11-15-3-4-18(31)22-21(15)25(26,23(17)34-22)8-10-30(19)13-14-1-2-14/h3-4,6,9,12,14,17,19,23,31,33H,1-2,5,7-8,10-11,13H2,(H,29,32)/t17-,19-,23+,25+,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352123
PNG
(CHEMBL1824518 | CHEMBL1852475)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H37N3O4/c1-29-11-7-17(8-12-29)25(32)28-19-6-9-27(33)21-14-18-4-5-20(31)23-22(18)26(27,24(19)34-23)10-13-30(21)15-16-2-3-16/h4-5,16-17,19,21,24,31,33H,2-3,6-15H2,1H3,(H,28,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 5.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352116
PNG
(CHEMBL1824512 | CHEMBL1852558)
Show SMILES Cc1cc(ccn1)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1S/C27H31N3O4/c1-15-12-18(7-10-28-15)25(32)29-19-6-8-27(33)21-13-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,12,16,19,21,24,31,33H,2-3,6,8-9,11,13-14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from mu opioid receptor expressed in CHO cells after 1 hr


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50352120
PNG
(CHEMBL1824516 | CHEMBL1852814)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)Cc1ccncc1
Show InChI InChI=1S/C27H31N3O4/c31-20-4-3-18-14-21-27(33)8-5-19(29-22(32)13-16-6-10-28-11-7-16)25-26(27,23(18)24(20)34-25)9-12-30(21)15-17-1-2-17/h3-4,6-7,10-11,17,19,21,25,31,33H,1-2,5,8-9,12-15H2,(H,29,32)/t19-,21-,25+,26+,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.30n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Agonist activity against mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]-GTPgammaS binding


Bioorg Med Chem Lett 21: 5625-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.135
BindingDB Entry DOI: 10.7270/Q21J9B57
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%