Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50014492 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 |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM26263
![PNG](/data/jpeg/tenK2/BindingDB_26263.png) (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Patents
Similars
| DrugBank PDB Article PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GABBA alpha5 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-2
(Homo sapiens (Human)) | BDBM26263
![PNG](/data/jpeg/tenK2/BindingDB_26263.png) (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| DrugBank PDB Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GABBA alpha2 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM26263
![PNG](/data/jpeg/tenK2/BindingDB_26263.png) (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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Similars
| DrugBank PDB Article PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GABBA alpha1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
![PNG](/data/jpeg/tenK5000/BindingDB_50000788.png) ((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
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to mu-opioid receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-3
(Homo sapiens (Human)) | BDBM26263
![PNG](/data/jpeg/tenK2/BindingDB_26263.png) (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GABBA alpha3 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
![PNG](/data/jpeg/tenK5000/BindingDB_50000788.png) ((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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to delta-opioid receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
![PNG](/data/jpeg/tenK5000/BindingDB_50000788.png) ((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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to kappa-opioid receptor (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM78940
![PNG](/data/jpeg/tenK7/BindingDB_78940.png) (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 5-HT5A (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-6
(Homo sapiens (Human)) | BDBM26263
![PNG](/data/jpeg/tenK2/BindingDB_26263.png) (Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to GABBA alpha6 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM78940
![PNG](/data/jpeg/tenK7/BindingDB_78940.png) (METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 5-HT1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.0c00793 BindingDB Entry DOI: 10.7270/Q2SX6J1D |
More data for this Ligand-Target Pair | |