Found 195 hits Enz. Inhib. hit(s) with all data for entry = 50007916 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 |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513934
(CHEMBL4443587)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H12F2N2O3S/c1-11-8-12-2-3(13)4(14)5(6(9)10)15-7(2)16-8/h2-7,13-14H,1H3,(H,11,12)/t2-,3-,4+,5+,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50323697
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513931
(CHEMBL4444446)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4+,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205423
(US9243020, 17 | US9815861, Example 17)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50323697
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA expressed in Escherichia coli assessed as inhibitory constant using 4-MUGlcNAc as substrate incubated for 20 mins... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205425
(US9243020, 20 | US9815861, Example 20)Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-13(2)9-12-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,1-2H3/t3-,4-,5+,6+,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM141965
(US8927507, 16)Show SMILES CN(CC=C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:5| Show InChI InChI=1S/C11H18N2O4S/c1-3-4-13(2)11-12-7-9(16)8(15)6(5-14)17-10(7)18-11/h3,6-10,14-16H,1,4-5H2,2H3/t6-,7-,8-,9-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205422
(US9243020, 9 | US9815861, Example 9)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513947
(CHEMBL4545886)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:13| Show InChI InChI=1S/C10H16N2O4S/c13-4-5-7(14)8(15)6-9(16-5)17-10(11-6)12-2-1-3-12/h5-9,13-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513960
(CHEMBL4561925)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:14| Show InChI InChI=1S/C10H16F2N2O3S/c1-2-3-13-10-14-4-5(15)6(16)7(8(11)12)17-9(4)18-10/h4-9,15-16H,2-3H2,1H3,(H,13,14)/t4-,5-,6+,7+,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513955
(CHEMBL4483089)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC |r,c:13| Show InChI InChI=1S/C10H18N2O4S/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513957
(CHEMBL4456515)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCF)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O4S/c10-1-2-11-9-12-5-7(15)6(14)4(3-13)16-8(5)17-9/h4-8,13-15H,1-3H2,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205424
(US9243020, 19 | US9815861, Example 19)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513958
(CHEMBL4473252)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513939
(CHEMBL4516713)Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NC)=N2 |r,c:15| Show InChI InChI=1S/C8H14N2O3S/c1-9-8-10-4-2-5(12)6(3-11)13-7(4)14-8/h4-7,11-12H,2-3H2,1H3,(H,9,10)/t4-,5+,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205421
(US9243020, 4 | US9815861, Example 4)Show SMILES CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM142083
(US8933040, 7)Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |r,c:6| Show InChI InChI=1S/C11H18N2O4S/c14-5-6-8(15)9(16)7-10(17-6)18-11(12-7)13-3-1-2-4-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513940
(CHEMBL4586062)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-6-8(15)7(14)5(4-11)16-9(6)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513951
(CHEMBL4583010)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-7-6(11)8(15)5(4-14)16-9(7)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513930
(CHEMBL4543991)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205428
(US9243020, 33 | US9815861, Example 33)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3+,4-,5-,7+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513944
(CHEMBL4453820)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:14| Show InChI InChI=1S/C10H14F2N2O3S/c11-8(12)7-6(16)5(15)4-9(17-7)18-10(13-4)14-2-1-3-14/h4-9,15-16H,1-3H2/t4-,5-,6+,7+,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205426
(US9243020, 27 | US9815861, Example 27)Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)C(F)F |r,t:2| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-3-2-4(13)5(6(9)10)14-7(3)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5+,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513956
(CHEMBL4448352)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513949
(CHEMBL4476839)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513952
(CHEMBL4576476)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205420
(US9243020, 2 | US9815861, Example 2)Show SMILES CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6+,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513950
(CHEMBL4454814)Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NCCC)=N2 |r,c:17| Show InChI InChI=1S/C10H18N2O3S/c1-2-3-11-10-12-6-4-7(14)8(5-13)15-9(6)16-10/h6-9,13-14H,2-5H2,1H3,(H,11,12)/t6-,7+,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513959
(CHEMBL4465511)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513942
(CHEMBL4436228)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3-,4+,5+,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM205419
(US9243020, 1 | US9815861, Example 1)Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-3-10-9-11-5-7(13)6(12)4(2)14-8(5)15-9/h4-8,12-13H,3H2,1-2H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513954
(CHEMBL4527453)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of human OGA assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as substrate incubated ... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Beta-hexosaminidase subunit beta
(Homo sapiens (Human)) | BDBM50513954
(CHEMBL4527453)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H14N2O4S/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside as subs... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513932
(CHEMBL4541985)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC(C)C1 |r,c:13| Show InChI InChI=1S/C11H18N2O4S/c1-5-2-13(3-5)11-12-7-9(16)8(15)6(4-14)17-10(7)18-11/h5-10,14-16H,2-4H2,1H3/t6-,7-,8-,9-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513945
(CHEMBL4440249)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC=C)S2 |r,t:14| Show InChI InChI=1S/C10H14F2N2O3S/c1-2-3-13-10-14-4-5(15)6(16)7(8(11)12)17-9(4)18-10/h2,4-9,15-16H,1,3H2,(H,13,14)/t4-,5-,6+,7+,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513953
(CHEMBL4449194)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC=C)S2 |r,t:13| Show InChI InChI=1S/C10H15FN2O3S/c1-2-3-12-10-13-6-8(15)7(14)5(4-11)16-9(6)17-10/h2,5-9,14-15H,1,3-4H2,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513936
(CHEMBL4570378)Show SMILES [H][C@]12O[C@H](COC)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:14| Show InChI InChI=1S/C10H18N2O4S/c1-3-11-10-12-6-8(14)7(13)5(4-15-2)16-9(6)17-10/h5-9,13-14H,3-4H2,1-2H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513943
(CHEMBL4470857)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:13| Show InChI InChI=1S/C10H15FN2O3S/c11-4-5-7(14)8(15)6-9(16-5)17-10(12-6)13-2-1-3-13/h5-9,14-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513941
(CHEMBL4519186)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](OC)[C@@]1([H])N=C(NCC)S2 |r,t:14| Show InChI InChI=1S/C10H18N2O4S/c1-3-11-10-12-6-8(15-2)7(14)5(4-13)16-9(6)17-10/h5-9,13-14H,3-4H2,1-2H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513933
(CHEMBL4513613)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(N)S2 |r,t:14| Show InChI InChI=1S/C7H10F2N2O3S/c8-5(9)4-3(13)2(12)1-6(14-4)15-7(10)11-1/h1-6,12-13H,(H2,10,11)/t1-,2-,3+,4+,6-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Beta-hexosaminidase subunit beta
(Homo sapiens (Human)) | BDBM205423
(US9243020, 17 | US9815861, Example 17)Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513964
(CHEMBL4454942)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC[C@@H](F)C1 |r,c:13| Show InChI InChI=1S/C11H17FN2O4S/c12-5-1-2-14(3-5)11-13-7-9(17)8(16)6(4-15)18-10(7)19-11/h5-10,15-17H,1-4H2/t5-,6-,7-,8-,9-,10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513963
(CHEMBL4465024)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(N)S2 |r,t:13| Show InChI InChI=1S/C7H11FN2O3S/c8-1-2-4(11)5(12)3-6(13-2)14-7(9)10-3/h2-6,11-12H,1H2,(H2,9,10)/t2-,3-,4-,5-,6-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Beta-hexosaminidase subunit beta
(Homo sapiens (Human)) | BDBM50513934
(CHEMBL4443587)Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H12F2N2O3S/c1-11-8-12-2-3(13)4(14)5(6(9)10)15-7(2)16-8/h2-7,13-14H,1H3,(H,11,12)/t2-,3-,4+,5+,7-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Beta-hexosaminidase subunit beta
(Homo sapiens (Human)) | BDBM50513958
(CHEMBL4473252)Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of human beta hexosaminidase assessed as inhibitory constant using 4-methylumbelliferyl N-acetyl-beta-D-glucosaminide dihydrate as substra... |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513961
(CHEMBL4446308)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CC[C@H](F)C1 |r,c:13| Show InChI InChI=1S/C11H17FN2O4S/c12-5-1-2-14(3-5)11-13-7-9(17)8(16)6(4-15)18-10(7)19-11/h5-10,15-17H,1-4H2/t5-,6+,7+,8+,9+,10+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513948
(CHEMBL4530018)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCCCC1 |r,c:13| Show InChI InChI=1S/C12H20N2O4S/c15-6-7-9(16)10(17)8-11(18-7)19-12(13-8)14-4-2-1-3-5-14/h7-11,15-17H,1-6H2/t7-,8-,9-,10-,11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513935
(CHEMBL4554360)Show SMILES [H][C@]12O[C@H](CO)C(F)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-7(14)5(10)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5?,6-,7+,8-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513965
(CHEMBL4578331)Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC(F)CC1 |r,c:13| Show InChI InChI=1S/C12H19FN2O4S/c13-6-1-3-15(4-2-6)12-14-8-10(18)9(17)7(5-16)19-11(8)20-12/h6-11,16-18H,1-5H2/t7-,8-,9-,10-,11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |
Protein O-GlcNAcase
(Homo sapiens (Human)) | BDBM50513937
(CHEMBL4520749)Show SMILES [H][C@]12O[C@H](CO)C[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:12| Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-7-6(13)3-5(4-12)14-8(7)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6-,7+,8+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human OGA |
J Med Chem 62: 10062-10097 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH |
More data for this Ligand-Target Pair | |