Found 104 hits with Last Name = 'smith' and Initial = 'ta' 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
(Rattus norvegicus (rat)) | BDBM50218795
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218796
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261134
(CHEMBL497550 | N-Ethyl-2-piperidin-1-yl-N-{2-[3-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(13-14-23-10-4-3-5-11-23)12-9-16-7-6-8-17(15-16)24-18(19,20)21/h6-8,15H,2-5,9-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261131
(CHEMBL498775 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[3-...)Show InChI InChI=1S/C16H23F3N2O/c1-20(11-12-21-8-2-3-9-21)10-7-14-5-4-6-15(13-14)22-16(17,18)19/h4-6,13H,2-3,7-12H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261084
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261083
(CHEMBL498564 | N-Methyl-2-piperidin-1-yl-N-{2-[4-(...)Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-3-2-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261133
(CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...)Show InChI InChI=1S/C17H25F3N2O/c1-21(12-13-22-9-3-2-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261087
(CHEMBL497338 | N-Methyl-2-piperidin-1-yl-N-{2-[2-(...)Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50216982
(CHEMBL235239 | UMB-97 | UMB97)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218793
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261132
(CHEMBL497340 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[3-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(12-13-22-9-3-4-10-22)11-8-15-6-5-7-16(14-15)23-17(18,19)20/h5-7,14H,2-4,8-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261130
(CHEMBL498774 | N-Ethyl-2-piperidin-1-yl-N-{2-[2-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50260602
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261082
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261085
(CHEMBL498565 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-...)Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-4-5-10-21)11-8-14-6-2-3-7-15(14)22-16(17,18)19/h2-3,6-7H,4-5,8-13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50216981
(CHEMBL238017 | UMB-95 | UMB95)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21-,22-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50261086
(CHEMBL445977 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-5-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218792
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50216980
(CHEMBL401245 | UMB-94 | UMB94)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50260601
(CHEMBL493384 | N-(4-methoxyphenethyl)-N-methyl-2-(...)Show InChI InChI=1S/C17H28N2O/c1-18(14-15-19-11-4-3-5-12-19)13-10-16-6-8-17(20-2)9-7-16/h6-9H,3-5,10-15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50216980
(CHEMBL401245 | UMB-94 | UMB94)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50216980
(CHEMBL401245 | UMB-94 | UMB94)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21+,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50216981
(CHEMBL238017 | UMB-95 | UMB95)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,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
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50216983
(CHEMBL392269 | UMB-96 | UMB96)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,21+,22+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from cloned mu opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218794
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]p-Cl-DPDPE from rat recombinant delta opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218795
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50216981
(CHEMBL238017 | UMB-95 | UMB95)Show SMILES CO[C@]12[C@@H]3Oc4c5c(C[C@H]6N(C)CC[C@@]35[C@]6(CC1O)C[C@@H]2[C@H](C)O)ccc4O |w:17.21,TEB:18:17:14.3:19.20| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-20-10-16(26)22(13,27-3)19-21(20)6-7-23(2)15(20)8-12-4-5-14(25)18(28-19)17(12)21/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,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
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50218795
((1R,13S,14R)-24-(cyclopropylmethyl)-20-methoxy-4,2...)Show SMILES COc1c(O)ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C27H30N2O3/c1-32-25-22(30)9-8-17-12-23-27(31)13-19-18-4-2-3-5-20(18)28-21(19)14-26(27,24(17)25)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,23,28,30-31H,6-7,10-15H2,1H3/t23-,26-,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218796
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50216983
(CHEMBL392269 | UMB-96 | UMB96)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,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
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50216982
(CHEMBL235239 | UMB-97 | UMB97)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DPDPE from cloned delta opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50261087
(CHEMBL497338 | N-Methyl-2-piperidin-1-yl-N-{2-[2-(...)Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-5-2-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 146 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at dopamine D2 receptor (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50216983
(CHEMBL392269 | UMB-96 | UMB96)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13+,15+,16?,19+,20-,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
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50261130
(CHEMBL498774 | N-Ethyl-2-piperidin-1-yl-N-{2-[2-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-6-3-7-12-23)13-10-16-8-4-5-9-17(16)24-18(19,20)21/h4-5,8-9H,2-3,6-7,10-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at dopamine D2 receptor (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50216982
(CHEMBL235239 | UMB-97 | UMB97)Show SMILES CO[C@]12CC(O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 |w:4.4,TLB:9:8:22.21:3.4,TEB:5:4:22.21:7.8| Show InChI InChI=1S/C22H29NO5/c1-11(24)13-9-21-15-8-12-4-5-14(25)18-17(12)20(21,6-7-23(15)2)19(28-18)22(13,27-3)10-16(21)26/h4-5,11,13,15-16,19,24-26H,6-10H2,1-3H3/t11-,13-,15-,16?,19-,20+,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from cloned kappa opioid receptor expressed in CHO cell membrane |
Bioorg Med Chem Lett 17: 4829-31 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.050 BindingDB Entry DOI: 10.7270/Q2C8291Q |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50261086
(CHEMBL445977 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[2-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-5-6-11-22)12-9-15-7-3-4-8-16(15)23-17(18,19)20/h3-4,7-8H,2,5-6,9-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at dopamine D2 receptor (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218793
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 474 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50218796
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 515 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50261085
(CHEMBL498565 | N-Methyl-2-pyrrolidin-1-yl-N-{2-[2-...)Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-4-5-10-21)11-8-14-6-2-3-7-15(14)22-16(17,18)19/h2-3,6-7H,4-5,8-13H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 516 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at dopamine D2 receptor (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50218793
((1R,13S,14R)-20-methoxy-24-methyl-4,24-diazahexacy...)Show SMILES COc1c(O)ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c12 Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(27)22(29-2)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 582 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50218792
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50218792
((1R,13S,14R)-24-(cyclopropylmethyl)-19,20-dimethox...)Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C28H32N2O3/c1-32-23-10-9-18-13-24-28(31)14-20-19-5-3-4-6-21(19)29-22(20)15-27(28,25(18)26(23)33-2)11-12-30(24)16-17-7-8-17/h3-6,9-10,17,24,29,31H,7-8,11-16H2,1-2H3/t24-,27-,28-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]DAMGO from rat recombinant mu opioid receptor expressed in C6 cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50261084
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at DAT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50261084
(CHEMBL526849 | N-Ethyl-2-piperidin-1-yl-N-{2-[4-(t...)Show InChI InChI=1S/C18H27F3N2O/c1-2-22(14-15-23-11-4-3-5-12-23)13-10-16-6-8-17(9-7-16)24-18(19,20)21/h6-9H,2-5,10-15H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at SERT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50261082
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at SERT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50261083
(CHEMBL498564 | N-Methyl-2-piperidin-1-yl-N-{2-[4-(...)Show InChI InChI=1S/C17H25F3N2O/c1-21(13-14-22-10-3-2-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at DAT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50261082
(CHEMBL498566 | N-Ethyl-2-pyrrolidin-1-yl-N-{2-[4-(...)Show InChI InChI=1S/C17H25F3N2O/c1-2-21(13-14-22-10-3-4-11-22)12-9-15-5-7-16(8-6-15)23-17(18,19)20/h5-8H,2-4,9-14H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at DAT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50260602
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at DAT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50218794
((1R,13S,14R)-19,20-dimethoxy-24-methyl-4,24-diazah...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1OC Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-24-14-19-17(16-6-4-5-7-18(16)26-19)13-25(24,28)21(27)12-15-8-9-20(29-2)23(30-3)22(15)24/h4-9,21,26,28H,10-14H2,1-3H3/t21-,24-,25-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 5175-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.087 BindingDB Entry DOI: 10.7270/Q20002XJ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50260602
(CHEMBL493369 | N-(4-(trifluoromethoxy)phenethyl)-N...)Show InChI InChI=1S/C16H23F3N2O/c1-20(12-13-21-9-2-3-10-21)11-8-14-4-6-15(7-5-14)22-16(17,18)19/h4-7H,2-3,8-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by ChEMBL
| Assay Description Binding affinity at SERT (unknown origin) |
J Med Chem 51: 3322-5 (2008)
Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 |
More data for this Ligand-Target Pair | |