Found 1140 hits with Last Name = 'barker' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50039026
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1 | PDB
Reactome pathway
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| Purchase
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PC sid
UniChem
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| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86965
((S)-5-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCN)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C28H39N3O4/c1-20-18-31(15-13-28(20,2)23-10-6-11-24(32)17-23)19-22(16-21-8-4-3-5-9-21)26(33)30-25(27(34)35)12-7-14-29/h3-6,8-11,17,20,22,25,32H,7,12-16,18-19,29H2,1-2H3,(H,30,33)(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252953
(CHEMBL494479 | N,N-Diethyl-4-(6-hydroxyspiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccc(O)cc12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-10-9-19(27)15-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86964
(2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30) | PDB
NCI pathway
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| PDB
Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86968
((S)-6-amino-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCCCN)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C29H41N3O4/c1-21-19-32(16-14-29(21,2)24-11-8-12-25(33)18-24)20-23(17-22-9-4-3-5-10-22)27(34)31-26(28(35)36)13-6-7-15-30/h3-5,8-12,18,21,23,26,33H,6-7,13-17,19-20,30H2,1-2H3,(H,31,34)(H,35,36) | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297321
(CHEMBL551613 | Isoindolin-2-yl(4-(spiro[chromene-2...)Show SMILES O=C(N1Cc2ccccc2C1)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:20| Show InChI InChI=1S/C28H26N2O2/c31-27(30-18-22-5-1-2-6-23(22)19-30)21-11-9-20(10-12-21)25-17-28(13-15-29-16-14-28)32-26-8-4-3-7-24(25)26/h1-12,17,29H,13-16,18-19H2 | PDB
Reactome pathway
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| CHEMBL
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PC sid
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| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86969
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297339
(CHEMBL557458 | N,N-Diethyl-2-hydroxy-4-(spiro[chro...)Show SMILES CCN(CC)C(=O)c1ccc(cc1O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)19-10-9-17(15-21(19)27)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252954
(ADL-5859 | CHEMBL494480 | N,N-diethyl-4-(5-hydroxy...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cccc(O)c12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297329
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12 |r| Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297338
(CHEMBL562873 | N,N-Diethyl-2-fluoro-4-(spiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(cc1F)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C24H27FN2O2/c1-3-27(4-2)23(28)19-10-9-17(15-21(19)25)20-16-24(11-13-26-14-12-24)29-22-8-6-5-7-18(20)22/h5-10,15-16,26H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
Reactome pathway
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297316
(CHEMBL561882 | N,N-Diisopropyl-4-(spiro[chromene-2...)Show SMILES CC(C)N(C(C)C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:16| Show InChI InChI=1S/C26H32N2O2/c1-18(2)28(19(3)4)25(29)21-11-9-20(10-12-21)23-17-26(13-15-27-16-14-26)30-24-8-6-5-7-22(23)24/h5-12,17-19,27H,13-16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252952
(CHEMBL495094 | N,N-Diethyl-4-(7-hydroxyspiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2cc(O)ccc12 |t:14| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-7-5-17(6-8-18)21-16-24(11-13-25-14-12-24)29-22-15-19(27)9-10-20(21)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297331
(CHEMBL550472 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1ccc(s1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13| Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-10-9-19(27-20)17-15-22(11-13-23-14-12-22)26-18-8-6-5-7-16(17)18/h5-10,15,23H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297328
((+/-)-N,N-Diethyl-4-(spiro[chroman-2,4'-piperidine...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1CC2(CCNCC2)Oc2ccccc12 Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86981
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C32H38N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3-15,20,23,26,29,35H,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252876
(CHEMBL494462 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252876
(CHEMBL494462 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C24H28N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,17,25H,3-4,13-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297324
(CHEMBL563893 | N,N-Diethyl-4-(spiro[azepane-4,2'-c...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C25H30N2O2/c1-3-27(4-2)24(28)20-12-10-19(11-13-20)22-18-25(14-7-16-26-17-15-25)29-23-9-6-5-8-21(22)23/h5-6,8-13,18,26H,3-4,7,14-17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86961
((S)-2-{(S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C38H42N2O4/c1-27-25-40(21-20-38(27,2)33-14-9-15-34(41)24-33)26-32(22-28-10-5-3-6-11-28)36(42)39-35(37(43)44)23-29-16-18-31(19-17-29)30-12-7-4-8-13-30/h3-19,24,27,32,35,41H,20-23,25-26H2,1-2H3,(H,39,42)(H,43,44) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86974
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(18-17-36(25,2)31-13-8-14-32(39)22-31)24-30(19-26-9-4-3-5-10-26)34(40)37-33(35(41)42)21-27-15-16-28-11-6-7-12-29(28)20-27/h3-16,20,22,25,30,33,39H,17-19,21,23-24H2,1-2H3,(H,37,40)(H,41,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297340
(CHEMBL562478 | N,N-Diethyl-3-methyl-4-(spiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(C)c1 |t:11| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)19-10-11-20(18(3)16-19)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297334
(CHEMBL557054 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1ccc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C23H27N3O2/c1-3-26(4-2)22(27)20-10-9-17(16-25-20)19-15-23(11-13-24-14-12-23)28-21-8-6-5-7-18(19)21/h5-10,15-16,24H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297342
(CHEMBL561339 | N,N-Diethyl-3-hydroxy-4-(spiro[chro...)Show SMILES CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc23)c(O)c1 |t:11| Show InChI InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)17-9-10-18(21(27)15-17)20-16-24(11-13-25-14-12-24)29-22-8-6-5-7-19(20)22/h5-10,15-16,25,27H,3-4,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86978
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2cccc3ccccc23)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(19-18-36(25,2)30-15-9-16-31(39)22-30)24-29(20-26-10-4-3-5-11-26)34(40)37-33(35(41)42)21-28-14-8-13-27-12-6-7-17-32(27)28/h3-17,22,25,29,33,39H,18-21,23-24H2,1-2H3,(H,37,40)(H,41,42) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301315
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86969
((R)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC(NC(=O)C(CN1CCC(C)(C(C)C1)c1cccc(O)c1)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H34N2O4/c1-18-16-28(13-12-26(18,3)22-10-7-11-23(29)15-22)17-21(14-20-8-5-4-6-9-20)24(30)27-19(2)25(31)32/h4-11,15,18-19,21,29H,12-14,16-17H2,1-3H3,(H,27,30)(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86974
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc3ccccc3c2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C36H40N2O4/c1-25-23-38(18-17-36(25,2)31-13-8-14-32(39)22-31)24-30(19-26-9-4-3-5-10-26)34(40)37-33(35(41)42)21-27-15-16-28-11-6-7-12-29(28)20-27/h3-16,20,22,25,30,33,39H,17-19,21,23-24H2,1-2H3,(H,37,40)(H,41,42) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297337
(CHEMBL557257 | N,N-Diethyl-2-methyl-4-(spiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(cc1C)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-11-10-19(16-18(20)3)22-17-25(12-14-26-15-13-25)29-23-9-7-6-8-21(22)23/h6-11,16-17,26H,4-5,12-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252925
(CHEMBL494275 | N,N-Diethyl-4-(1'-methylspiro[chrom...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1=CC2(CCN(C)CC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C25H30N2O2/c1-4-27(5-2)24(28)20-12-10-19(11-13-20)22-18-25(14-16-26(3)17-15-25)29-23-9-7-6-8-21(22)23/h6-13,18H,4-5,14-17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86260
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50277153
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2R,4R)-1,3,...)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20+,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297336
(CHEMBL562280 | N,N-Diethyl-5-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14| Show InChI InChI=1S/C22H26N4O2/c1-3-26(4-2)21(27)20-24-14-16(15-25-20)18-13-22(9-11-23-12-10-22)28-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86963
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C33H40N2O4/c1-24-22-35(19-18-33(24,2)28-14-9-15-29(36)21-28)23-27(20-26-12-7-4-8-13-26)31(37)34-30(32(38)39)17-16-25-10-5-3-6-11-25/h3-15,21,24,27,30,36H,16-20,22-23H2,1-2H3,(H,34,37)(H,38,39) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297312
(CHEMBL551412 | N-Ethyl-4-(spiro[chromene-2,4'-pipe...)Show SMILES CCNC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12| Show InChI InChI=1S/C22H24N2O2/c1-2-24-21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,2,11-14H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297333
(CHEMBL562898 | N,N-Diethyl-4-(spiro[chromene-2,4'-...)Show SMILES CCN(CC)C(=O)c1cc(cs1)C1=CC2(CCNCC2)Oc2ccccc12 |t:13| Show InChI InChI=1S/C22H26N2O2S/c1-3-24(4-2)21(25)20-13-16(15-27-20)18-14-22(9-11-23-12-10-22)26-19-8-6-5-7-17(18)19/h5-8,13-15,23H,3-4,9-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86962
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC(O)=O)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H34N2O6/c1-18-16-29(12-11-27(18,2)21-9-6-10-22(30)14-21)17-20(13-19-7-4-3-5-8-19)25(33)28-23(26(34)35)15-24(31)32/h3-10,14,18,20,23,30H,11-13,15-17H2,1-2H3,(H,28,33)(H,31,32)(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297323
(2-Ethyl-6-(spiro[chromene-2,4'-piperidine]-4-yl)-3...)Show SMILES CCN1CCc2cc(ccc2C1=O)C1=CC2(CCNCC2)Oc2ccccc12 |t:15| Show InChI InChI=1S/C24H26N2O2/c1-2-26-14-9-18-15-17(7-8-19(18)23(26)27)21-16-24(10-12-25-13-11-24)28-22-6-4-3-5-20(21)22/h3-8,15-16,25H,2,9-14H2,1H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86961
((S)-2-{(S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(Cc2ccc(cc2)-c2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C38H42N2O4/c1-27-25-40(21-20-38(27,2)33-14-9-15-34(41)24-33)26-32(22-28-10-5-3-6-11-28)36(42)39-35(37(43)44)23-29-16-18-31(19-17-29)30-12-7-4-8-13-30/h3-19,24,27,32,35,41H,20-23,25-26H2,1-2H3,(H,39,42)(H,43,44) | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301316
(CHEMBL568468 | N-(3,4-dimethyl-5-(morpholinomethyl...)Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24) | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86260
(CAS_465-65-6 | NALOXONE | NSC_10064 | Naloxone(-))Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O |TLB:21:22:7.11.12:5.4.17,THB:23:22:7.11.12:5.4.17| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2 | PDB
Reactome pathway
KEGG
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| Purchase
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252874
(CHEMBL494265 | Methyl 4-(spiro[chromene-2,4'-piper...)Show SMILES COC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:11| Show InChI InChI=1S/C21H21NO3/c1-24-20(23)16-8-6-15(7-9-16)18-14-21(10-12-22-13-11-21)25-19-5-3-2-4-17(18)19/h2-9,14,22H,10-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50297317
(CHEMBL561805 | N,N-Dimethyl-4-(spiro[chromene-2,4'...)Show SMILES CN(C)C(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:12| Show InChI InChI=1S/C22H24N2O2/c1-24(2)21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,11-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells |
J Med Chem 52: 5685-702 (2009)
Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86963
((S)-2-((S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dim...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CCc2ccccc2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C33H40N2O4/c1-24-22-35(19-18-33(24,2)28-14-9-15-29(36)21-28)23-27(20-26-12-7-4-8-13-26)31(37)34-30(32(38)39)17-16-25-10-5-3-6-11-25/h3-15,21,24,27,30,36H,16-20,22-23H2,1-2H3,(H,34,37)(H,38,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50252875
(4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzoic ac...)Show SMILES OC(=O)c1ccc(cc1)C1=CC2(CCNCC2)Oc2ccccc12 |t:10| Show InChI InChI=1S/C20H19NO3/c22-19(23)15-7-5-14(6-8-15)17-13-20(9-11-21-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,21H,9-12H2,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells |
J Med Chem 51: 5893-6 (2008)
Article DOI: 10.1021/jm8008986
BindingDB Entry DOI: 10.7270/Q26W9C0D |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM86983
((S)-3-cyclohexyl-2-((S)-2-(((3R,4R)-4-(3-hydroxyph...)Show SMILES CC1CN(CC(Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(O)=O)CCC1(C)c1cccc(O)c1 Show InChI InChI=1S/C32H44N2O4/c1-23-21-34(17-16-32(23,2)27-14-9-15-28(35)20-27)22-26(18-24-10-5-3-6-11-24)30(36)33-29(31(37)38)19-25-12-7-4-8-13-25/h3,5-6,9-11,14-15,20,23,25-26,29,35H,4,7-8,12-13,16-19,21-22H2,1-2H3,(H,33,36)(H,37,38) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 2006-12 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.106
BindingDB Entry DOI: 10.7270/Q2B856Q8 |
More data for this
Ligand-Target Pair | |
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