Found 94 hits with Last Name = 'law' and Initial = 'jl' 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
(Rattus norvegicus (rat)) | BDBM50451823
(CHEMBL2112840)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6| Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125686
(2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10| Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451820
(CHEMBL3085267)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6| Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451826
(CHEMBL2112797)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451822
(CHEMBL2112839)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11| Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451819
(CHEMBL2079659)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125687
(2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | 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 GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125689
(6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18| Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451824
(CHEMBL2092968)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125680
(3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50370478
(MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16| Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451825
(CHEMBL2113393)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451826
(CHEMBL2112797)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)ccc3O |THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H31NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2,4,11-12,14-15,17-19,21-22,25-29H,3,5-9H2,1H3/t11-,12+,14-,15-,17+,18-,19-,21-,22+,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125688
(3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451819
(CHEMBL2079659)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451823
(CHEMBL2112840)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:23,THB:3:4:17:9.15.14,10:9:17:4.5.6| Show InChI InChI=1S/C26H31NO9/c28-15-5-3-12-9-14-13-4-6-16(34-25-20(31)18(29)19(30)22(36-25)24(32)33)23-26(13,17(12)21(15)35-23)7-8-27(14)10-11-1-2-11/h3-6,11,13-14,16,18-20,22-23,25,28-31H,1-2,7-10H2,(H,32,33)/t13-,14+,16-,18-,19-,20-,22+,23-,25+,26?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | 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 GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451824
(CHEMBL2092968)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2OC1OC(CO)[C@H](O)C(O)C1O)ccc3O |c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C23H29NO8/c1-24-7-6-23-11-3-5-14(30-22-19(29)18(28)17(27)15(9-25)31-22)21(23)32-20-13(26)4-2-10(16(20)23)8-12(11)24/h2-5,11-12,14-15,17-19,21-22,25-29H,6-9H2,1H3/t11-,12+,14-,15?,17-,18?,19?,21-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451822
(CHEMBL2112839)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])CC[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |THB:10:9:14:4.5.6,3:4:14:9.12.11| Show InChI InChI=1S/C23H29NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2,4,10-11,13,15-17,19-20,22,25-28H,3,5-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17-,19+,20-,22+,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125686
(2-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)Show SMILES CC1OC(O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6O[C@@H]2C3(CCN4C)c56)C(O)C(O)C1O |c:6,TLB:23:22:8:24.11.10| Show InChI InChI=1S/C23H29NO7/c1-10-17(26)18(27)19(28)22(29-10)30-15-6-4-12-13-9-11-3-5-14(25)20-16(11)23(12,21(15)31-20)7-8-24(13)2/h3-6,10,12-13,15,17-19,21-22,25-28H,7-9H2,1-2H3/t10?,12-,13+,15-,17?,18?,19?,21-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451820
(CHEMBL3085267)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:21,TLB:10:9:16:4.5.6| Show InChI InChI=1S/C25H29NO9/c1-2-8-26-9-7-25-12-4-6-15(33-24-19(30)17(28)18(29)21(35-24)23(31)32)22(25)34-20-14(27)5-3-11(16(20)25)10-13(12)26/h2-6,12-13,15,17-19,21-22,24,27-30H,1,7-10H2,(H,31,32)/t12-,13+,15-,17-,18-,19-,21+,22-,24+,25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50370478
(MORPHINE-6-GLUCURONIDE | Morphine 6-Glucuronide(Mi...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)ccc5O |r,c:16| Show InChI InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451821
(CHEMBL3085275)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6| Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125689
(6-[4-allyl-10-hydroxy-(5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:18| Show InChI InChI=1S/C22H25NO9/c24-11-3-1-8-7-10-9-2-4-12(19-22(9,5-6-23-10)13(8)17(11)31-19)30-21-16(27)14(25)15(26)18(32-21)20(28)29/h1-4,9-10,12,14-16,18-19,21,23-27H,5-7H2,(H,28,29)/t9-,10+,12-,14-,15-,16-,18+,19-,21+,22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451825
(CHEMBL2113393)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CCC14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O)ccc3O |r,c:19,THB:3:4:14:9.12.11,10:9:14:4.5.6| Show InChI InChI=1S/C22H25NO8/c1-23-7-6-22-10-3-5-13(29-21-16(26)15(25)18(31-21)20(27)28)19(22)30-17-12(24)4-2-9(14(17)22)8-11(10)23/h2-5,10-11,13,15-16,18-19,21,24-26H,6-8H2,1H3,(H,27,28)/t10-,11+,13-,15-,16+,18-,19-,21+,22?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125680
(3,4-dihydroxy-2-[10-hydroxy-4-methyl-(5R,13R,14S,1...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(=CC(O)C1O)C(O)=O)ccc5O |c:16,23,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,9,11-12,14-15,18,20,22,25-27H,6-8H2,1H3,(H,28,29)/t11-,12+,14?,15-,18?,20-,22?,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125692
(3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125692
(3,4,5-trihydroxy-6-[10-hydroxy-(5R,13R,14S,17R)-12...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2OC1O[C@H](CC(O)C1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14?,15-,16+,18?,20-,22?,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125684
(3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125690
(6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125690
(6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-12-oxa-4-a...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1CCCC(O1)C(O)=O)ccc5O |c:16,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H27NO6/c1-24-10-9-23-13-6-8-16(28-18-4-2-3-17(29-18)22(26)27)21(23)30-20-15(25)7-5-12(19(20)23)11-14(13)24/h5-8,13-14,16-18,21,25H,2-4,9-11H2,1H3,(H,26,27)/t13-,14+,16-,17?,18?,21-,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125687
(2-[14-(6-carboxy-3,4,5-trihydroxytetrahydro-2H-2-p...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@@H](C[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C23H27NO8/c1-24-7-6-23-11-3-5-15(30-22-18(27)14(26)9-16(31-22)21(28)29)20(23)32-19-13(25)4-2-10(17(19)23)8-12(11)24/h2-5,11-12,14-16,18,20,22,25-27H,6-9H2,1H3,(H,28,29)/t11-,12+,14-,15-,16-,18-,20-,22+,23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125688
(3-hydroxy-6-[10-hydroxy-4-methyl-(5R,13R,14S,17R)-...)Show SMILES CN1CCC23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC1OC(C(O)C=C1)C(O)=O)ccc5O |c:16,26,THB:0:1:12:8.9.10| Show InChI InChI=1S/C23H25NO7/c1-24-9-8-23-12-3-6-16(29-17-7-5-15(26)20(30-17)22(27)28)21(23)31-19-14(25)4-2-11(18(19)23)10-13(12)24/h2-7,12-13,15-17,20-21,25-26H,8-10H2,1H3,(H,27,28)/t12-,13+,15?,16-,17?,20?,21-,23?/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50451821
(CHEMBL3085275)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(O)=O)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3O |c:22,TLB:10:9:17:4.5.6| Show InChI InChI=1S/C24H27NO11/c26-12-3-1-9-7-11-10-2-4-13(34-23-18(31)16(29)17(30)20(36-23)22(32)33)21-24(10,15(9)19(12)35-21)5-6-25(11)8-14(27)28/h1-4,10-11,13,16-18,20-21,23,26,29-31H,5-8H2,(H,27,28)(H,32,33)/t10-,11+,13-,16-,17-,18-,20+,21-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50125684
(3,4,5-trihydroxy-6-[10-methoxy-4-methyl-(5R,13R,14...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O)ccc3OC |c:19,THB:10:9:14:4.5.6| Show InChI InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18-,20+,21-,23+,24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ultrafine UFC Ltd
Curated by ChEMBL
| Assay Description mu-2 receptor binding affinity in rat brain by 3H [d-Ala2, (N-Me)Phe4, Gly5-ol] enkephalin displacement. |
Bioorg Med Chem Lett 13: 1207-14 (2003)
BindingDB Entry DOI: 10.7270/Q2251JQC |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of CHK1 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of CAMK2B |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PHKgamma2 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PDGFRalpha |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of RSK1 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of SYK |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of JAK3 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of CDK2/cyclinA |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of MST2 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of RET |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of LYN |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of MINK |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |
Death-associated protein kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of DAPK1 |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute
Curated by ChEMBL
| Assay Description Inhibition of PKCalpha |
J Med Chem 52: 3191-204 (2009)
Article DOI: 10.1021/jm800861c BindingDB Entry DOI: 10.7270/Q23J3DWT |
More data for this Ligand-Target Pair | |