Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50027183 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 |
|---|
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263826
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(2-naphth...)Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6| Show InChI InChI=1S/C17H17NO6S/c19-8-12-13(20)14(21)15(22)17(23-12)24-18-16(25-17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,19-22H,8H2/t12-,13-,14+,15-,17+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263773
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263768
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)Show SMILES OC[C@H]1O[C@@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)/t2-,3-,4+,5-,8+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263771
(1-benzoyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(...)Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263772
(1-(1-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263769
((5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-hydroxymethy...)Show SMILES OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263825
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-methox...)Show SMILES COc1ccc(cc1)C1=NO[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1 |r,t:9| Show InChI InChI=1S/C14H17NO7S/c1-20-8-4-2-7(3-5-8)13-15-22-14(23-13)12(19)11(18)10(17)9(6-16)21-14/h2-5,9-12,16-19H,6H2,1H3/t9-,10-,11+,12-,14+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263723
(CHEMBL488967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263823
((5S,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-d...)Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6| Show InChI InChI=1S/C13H15NO6S/c15-6-8-9(16)10(17)11(18)13(19-8)20-14-12(21-13)7-4-2-1-3-5-7/h1-5,8-11,15-18H,6H2/t8-,9-,10+,11-,13+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263824
((1S)-1,5-Anhydro-D-glucitol-spiro[1.5]-3-(4-fluoro...)Show SMILES OC[C@H]1O[C@]2(ON=C(S2)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r,c:6| Show InChI InChI=1S/C13H14FNO6S/c14-7-3-1-6(2-4-7)12-15-21-13(22-12)11(19)10(18)9(17)8(5-16)20-13/h1-4,8-11,16-19H,5H2/t8-,9-,10+,11-,13+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50240802
(1-N-ACETYL-BETA-D-GLUCOSAMINE | CHEMBL335315 | N-(...)Show SMILES CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 | PDB
MMDB
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| Purchase
CHEMBL
MMDB
PC cid
PC sid
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Patents
Similars
| PDB
Article
PubMed
| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50240801
(CHEMBL131967 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)Show SMILES OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263770
(1-acetyl-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(h...)Show SMILES CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1 | PDB
MMDB
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| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| MMDB
PDB
Article
PubMed
| 3.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM50263722
(CHEMBL450104 | N-((2R,3R,4S,5S,6R)-3,4,5-trihydrox...)Show SMILES OC[C@H]1O[C@@H](NC(=O)c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C17H19NO6/c19-8-12-13(20)14(21)15(22)17(24-12)18-16(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17,19-22H,8H2,(H,18,23)/t12-,13-,14+,15-,17-/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen
Curated by ChEMBL
| Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b |
Bioorg Med Chem Lett 18: 5680-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.052
BindingDB Entry DOI: 10.7270/Q2571BTV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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