Found 12 hits of Enzyme Inhibition Constant Data 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 |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50065353
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor mu 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50065353
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,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
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor delta 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor delta 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor mu 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor mu 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor delta 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor kappa 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50065353
((S)-2-Amino-N-((6S,12R)-6-benzyl-1-methyl-5,8,11-t...)Show SMILES CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H34N6O5/c1-32-12-11-28-25(36)21(14-17-5-3-2-4-6-17)30-23(34)15-29-26(37)22(16-32)31-24(35)20(27)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,27H2,1H3,(H,28,36)(H,29,37)(H,30,34)(H,31,35)/t20-,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
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor kappa 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor delta 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor kappa 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor kappa 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001683
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/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
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego
Curated by ChEMBL
| Assay Description In vitro potency was measured against human Opioid receptor mu 1 |
J Med Chem 41: 2631-5 (1998)
Article DOI: 10.1021/jm970861r BindingDB Entry DOI: 10.7270/Q21N81TP |
More data for this Ligand-Target Pair | |