Found 16 hits with Last Name = 'farag' and Initial = 'hh' 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 |
Genome polyprotein
(Coxsackievirus B3 (strain Nancy)) | BDBM50501750
(CHEMBL4096676)Show InChI InChI=1S/C16H16N2O2/c1-12(19)14-10-15(16(17)20)18(11-14)9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3,(H2,17,20)/b8-5+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.97E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(... |
J Med Chem 61: 1218-1230 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Coxsackievirus B3 (strain Nancy)) | BDBM50501751
(CHEMBL4096233)Show SMILES NC(=O)c1cc(cn1C\C=C\c1ccccc1)C(=O)C(Sc1ccccc1)Sc1ccccc1 Show InChI InChI=1S/C28H24N2O2S2/c29-27(32)25-19-22(20-30(25)18-10-13-21-11-4-1-5-12-21)26(31)28(33-23-14-6-2-7-15-23)34-24-16-8-3-9-17-24/h1-17,19-20,28H,18H2,(H2,29,32)/b13-10+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(... |
J Med Chem 61: 1218-1230 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Coxsackievirus B3 (strain Nancy)) | BDBM50501749
(CHEMBL4068292)Show InChI InChI=1S/C12H13NO4/c1-12(2)4-8(14)6-3-7(10(13)15)11(16)17-9(6)5-12/h3H,4-5H2,1-2H3,(H2,13,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.93E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 ... |
J Med Chem 61: 1218-1230 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM15581
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM50078676
(CHEMBL3415443)Show SMILES [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H18N4O5/c1-2-30-21(27)19(24-12-11-16-5-3-4-6-17(16)14-24)20(26)23-22-13-15-7-9-18(10-8-15)25(28)29/h3-14,19H,2H2,1H3/p+1/b22-13+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM50078677
(CHEMBL3415442)Show InChI InChI=1S/C7H7ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H,9H2/b10-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM50078679
(CHEMBL3415439)Show SMILES CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2O3/c1-2-27-22(26)20(21(25)23-14-12-17-8-4-3-5-9-17)24-15-13-18-10-6-7-11-19(18)16-24/h3-11,13,15-16,20H,2,12,14H2,1H3/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM50078678
(CHEMBL3415441)Show InChI InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Bos taurus) | BDBM50078675
(CHEMBL3415444)Show SMILES [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H18ClN3O3/c1-2-28-21(27)19(25-12-11-16-5-3-4-6-17(16)14-25)20(26)24-23-13-15-7-9-18(22)10-8-15/h3-14,19H,2H2,1H3/p+1/b23-13+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM50078679
(CHEMBL3415439)Show SMILES CCOC(=O)C(C(=O)NCCc1ccccc1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2O3/c1-2-27-22(26)20(21(25)23-14-12-17-8-4-3-5-9-17)24-15-13-18-10-6-7-11-19(18)16-24/h3-11,13,15-16,20H,2,12,14H2,1H3/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Genome polyprotein
(Coxsackievirus B3 (strain Nancy)) | BDBM50501749
(CHEMBL4068292)Show InChI InChI=1S/C12H13NO4/c1-12(2)4-8(14)6-3-7(10(13)15)11(16)17-9(6)5-12/h3H,4-5H2,1-2H3,(H2,13,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(Edans)-NH2 ... |
J Med Chem 61: 1218-1230 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM50078675
(CHEMBL3415444)Show SMILES [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(Cl)cc1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H18ClN3O3/c1-2-28-21(27)19(25-12-11-16-5-3-4-6-17(16)14-25)20(26)24-23-13-15-7-9-18(22)10-8-15/h3-14,19H,2H2,1H3/p+1/b23-13+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM50078678
(CHEMBL3415441)Show InChI InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM50078676
(CHEMBL3415443)Show SMILES [Br-].CCOC(=O)C(C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C21H18N4O5/c1-2-30-21(27)19(24-12-11-16-5-3-4-6-17(16)14-24)20(26)23-22-13-15-7-9-18(10-8-15)25(28)29/h3-14,19H,2H2,1H3/p+1/b22-13+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM50078677
(CHEMBL3415442)Show InChI InChI=1S/C7H7ClN2/c8-7-3-1-6(2-4-7)5-10-9/h1-5H,9H2/b10-5+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Bos taurus) | BDBM15581
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Assiut University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetry |
Eur J Med Chem 93: 481-91 (2015)
Article DOI: 10.1016/j.ejmech.2015.02.039 BindingDB Entry DOI: 10.7270/Q2FX7C5D |
More data for this Ligand-Target Pair | |