Found 527 hits with Last Name = 'seida' and Initial = 'pr' 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 |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50007344
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50007377
(2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyr...)Show SMILES CN(C(CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155498
((S)-3-(3,4-Dichloro-phenyl)-1-[(S)-2-((S)-3-hydrox...)Show SMILES O[C@H]1CCN(C[C@@H](N2CC=CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2)C1 |c:9| Show InChI InChI=1S/C24H26Cl2N2O2/c25-21-10-9-18(14-22(21)26)20-8-4-5-12-28(24(20)30)23(17-6-2-1-3-7-17)16-27-13-11-19(29)15-27/h1-7,9-10,14,19-20,23,29H,8,11-13,15-16H2/t19-,20-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155494
(3-(3,4-Dichloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1...)Show SMILES Clc1ccc(cc1Cl)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:11| Show InChI InChI=1S/C24H26Cl2N2O/c25-21-12-11-19(16-22(21)26)20-10-4-5-15-28(24(20)29)23(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,20,23H,6-7,10,13-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166621
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199910
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-chlorobenzyl)...)Show SMILES C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-11-10-25(15-18-6-3-4-9-22(18)24)16-20(26)13-23(17,2)19-7-5-8-21(27)12-19/h3-9,12,17,20,27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.470 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166619
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199896
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.620 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155495
(1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...)Show SMILES FC(F)(F)c1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:13| Show InChI InChI=1S/C25H27F3N2O/c26-25(27,28)21-13-11-19(12-14-21)22-10-4-5-17-30(24(22)31)23(18-29-15-6-7-16-29)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166613
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199945
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(2-methylbenzyl)...)Show SMILES C[C@H]1CN2CCN(Cc3ccccc3C)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-18-7-4-5-8-20(18)16-25-11-12-26-15-19(2)24(3,14-22(26)17-25)21-9-6-10-23(27)13-21/h4-10,13,19,22,27H,11-12,14-17H2,1-3H3/t19-,22+,24+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.980 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 1 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199941
(3-((7R,8R,9alphaR)-2-(cyclohexylmethyl)-7,8-dimeth...)Show SMILES C[C@H]1CN2CCN(CC3CCCCC3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H36N2O/c1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20/h6,9-10,13,18-19,21,26H,3-5,7-8,11-12,14-17H2,1-2H3/t18-,21+,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.10 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199914
(3-((7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-octahydro...)Show SMILES C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O/c1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20/h3-10,13,18,21,26H,11-12,14-17H2,1-2H3/t18-,21+,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166626
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166614
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199936
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-methylbenzyl)...)Show SMILES C[C@H]1CN2CCN(Cc3cccc(C)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-18-6-4-7-20(12-18)16-25-10-11-26-15-19(2)24(3,14-22(26)17-25)21-8-5-9-23(27)13-21/h4-9,12-13,19,22,27H,10-11,14-17H2,1-3H3/t19-,22+,24+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166615
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199946
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(thiophen-2-ylme...)Show SMILES C[C@H]1CN2CCN(Cc3cccs3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C21H28N2OS/c1-16-13-23-9-8-22(15-20-7-4-10-25-20)14-18(23)12-21(16,2)17-5-3-6-19(24)11-17/h3-7,10-11,16,18,24H,8-9,12-15H2,1-2H3/t16-,18+,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.40 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199920
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(3-chlorobenzyl)...)Show SMILES C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H29ClN2O/c1-17-14-26-10-9-25(15-18-5-3-7-20(24)11-18)16-21(26)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,21,27H,9-10,13-16H2,1-2H3/t17-,21+,23+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166623
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166618
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199931
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C23H29N3O/c1-16-14-26-15-21(17-7-4-3-5-8-17)25-13-20(26)12-23(16,2)19-10-6-9-18(11-19)22(24)27/h3-11,16,20-21,25H,12-15H2,1-2H3,(H2,24,27)/t16-,20+,21+,23+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199937
(2-(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimeth...)Show SMILES C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-11-10-24(15-18-6-3-4-9-22(18)27)16-20(25)13-23(17,2)19-7-5-8-21(26)12-19/h3-9,12,17,20,26-27H,10-11,13-16H2,1-2H3/t17-,20+,23+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50045767
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166633
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166631
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155497
(3-(4-Chloro-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-...)Show SMILES Clc1ccc(cc1)C1CC=CCN(C(CN2CCCC2)c2ccccc2)C1=O |c:10| Show InChI InChI=1S/C24H27ClN2O/c25-21-13-11-19(12-14-21)22-10-4-5-17-27(24(22)28)23(18-26-15-6-7-16-26)20-8-2-1-3-9-20/h1-5,8-9,11-14,22-23H,6-7,10,15-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199913
(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...)Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50155500
(3-(3,4-Dichloro-phenoxy)-1-(1-phenyl-2-pyrrolidin-...)Show SMILES Clc1ccc(OC2CC=CCN(C(CN3CCCC3)c3ccccc3)C2=O)cc1Cl |c:8| Show InChI InChI=1S/C24H26Cl2N2O2/c25-20-12-11-19(16-21(20)26)30-23-10-4-5-15-28(24(23)29)22(17-27-13-6-7-14-27)18-8-2-1-3-9-18/h1-5,8-9,11-12,16,22-23H,6-7,10,13-15,17H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Binding affinity for human Kappa opioid receptor |
Bioorg Med Chem Lett 14: 5693-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.041 BindingDB Entry DOI: 10.7270/Q27D2TMP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166624
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199938
(3-((3S,7R,8R,9alphaR)-3-cyclohexyl-7,8-dimethyl-oc...)Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)C1CCCCC1 |r| Show InChI InChI=1S/C22H34N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h6,9-11,16-17,19,21,23,25H,3-5,7-8,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166636
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166628
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1 Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166620
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199925
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(thiophen-3-ylme...)Show SMILES C[C@H]1CN2CCN(Cc3ccsc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C21H28N2OS/c1-16-12-23-8-7-22(13-17-6-9-25-15-17)14-19(23)11-21(16,2)18-4-3-5-20(24)10-18/h3-6,9-10,15-16,19,24H,7-8,11-14H2,1-2H3/t16-,19+,21+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 3 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199912
(3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...)Show SMILES C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r| Show InChI InChI=1S/C23H30N2O/c1-17-14-25-16-22(18-8-5-4-6-9-18)24(3)15-20(25)13-23(17,2)19-10-7-11-21(26)12-19/h4-12,17,20,22,26H,13-16H2,1-3H3/t17-,20+,22+,23+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199947
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-(naphthalen-1-yl...)Show SMILES C[C@H]1CN2CCN(Cc3cccc4ccccc34)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C27H32N2O/c1-20-17-29-14-13-28(18-22-9-5-8-21-7-3-4-12-26(21)22)19-24(29)16-27(20,2)23-10-6-11-25(30)15-23/h3-12,15,20,24,30H,13-14,16-19H2,1-2H3/t20-,24+,27+/m0/s1 | PDB
NCI pathway 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199943
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r| Show InChI InChI=1S/C22H28N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h3-11,16,19,21,23,25H,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.60 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| 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/t14-,17+,18+,19-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 3.70 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50268463
(CHEMBL502411 | c[L-Phe-D-pro-L-Phe-D-trp])Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12 |r| Show InChI InChI=1S/C34H35N5O4/c40-31-27(18-22-10-3-1-4-11-22)37-33(42)30-16-9-17-39(30)34(43)29(19-23-12-5-2-6-13-23)38-32(41)28(36-31)20-24-21-35-26-15-8-7-14-25(24)26/h1-8,10-15,21,27-30,35H,9,16-20H2,(H,36,40)(H,37,42)(H,38,41)/t27-,28+,29-,30+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80 | 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 cloned kappa opioid receptor by cell based assay |
Bioorg Med Chem Lett 19: 3647-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.105 BindingDB Entry DOI: 10.7270/Q2HT2Q8K |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199929
(3-((7R,8R,9alphaR)-2-(3-hydroxybenzyl)-7,8-dimethy...)Show SMILES C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C23H30N2O2/c1-17-14-25-10-9-24(15-18-5-3-7-21(26)11-18)16-20(25)13-23(17,2)19-6-4-8-22(27)12-19/h3-8,11-12,17,20,26-27H,9-10,13-16H2,1-2H3/t17-,20+,23+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.30 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 4.40 | 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 cloned kappa opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199935
(3-((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3-phen...)Show SMILES C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O/c1-22-18-30-21-28(24-12-7-4-8-13-24)31(19-23-10-5-3-6-11-23)20-26(30)17-29(22,2)25-14-9-15-27(32)16-25/h3-16,22,26,28,32H,17-21H2,1-2H3/t22-,26+,28+,29+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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 ChEMBL
| Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50268531
(CHEMBL499595 | c[L-Ala-D-pro-L-Phe-D-trp])Show SMILES C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C1=O |r| Show InChI InChI=1S/C28H31N5O4/c1-17-28(37)33-13-7-12-24(33)27(36)32-22(14-18-8-3-2-4-9-18)26(35)31-23(25(34)30-17)15-19-16-29-21-11-6-5-10-20(19)21/h2-6,8-11,16-17,22-24,29H,7,12-15H2,1H3,(H,30,34)(H,31,35)(H,32,36)/t17-,22-,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.20 | 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 cloned kappa opioid receptor by cell based assay |
Bioorg Med Chem Lett 19: 3647-50 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.105 BindingDB Entry DOI: 10.7270/Q2HT2Q8K |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199934
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...)Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.5 | 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 cloned mu opioid receptor expressed in CHO cells |
J Med Chem 49: 7290-306 (2006)
Article DOI: 10.1021/jm0604878 BindingDB Entry DOI: 10.7270/Q2CF9QW8 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50039966
(1-[(S)-2-(Methyl-phenylacetyl-amino)-2-phenyl-ethy...)Show InChI InChI=1S/C21H26N2O/c1-22(21(24)16-18-10-4-2-5-11-18)20(17-23-14-8-9-15-23)19-12-6-3-7-13-19/h2-7,10-13,20H,8-9,14-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166617
(2-{4-[(4-Fluoro-benzenesulfonylamino)-methyl]-phen...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H32FN3O4S/c1-31(27(23-5-3-2-4-6-23)20-32-16-15-25(33)19-32)28(34)17-21-7-9-22(10-8-21)18-30-37(35,36)26-13-11-24(29)12-14-26/h2-14,25,27,30,33H,15-20H2,1H3/t25-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166630
(2-[4-(Benzenesulfonylamino-methyl)-phenyl]-N-[(S)-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H33N3O4S/c1-30(27(24-8-4-2-5-9-24)21-31-17-16-25(32)20-31)28(33)18-22-12-14-23(15-13-22)19-29-36(34,35)26-10-6-3-7-11-26/h2-15,25,27,29,32H,16-21H2,1H3/t25-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166632
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1 Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020 BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this Ligand-Target Pair | |