Found 402 hits with Last Name = 'mcdonough' and Initial = 'ma' 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 |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395076
(CHEMBL2164243)Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395076
(CHEMBL2164243)Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | PDB
UniProtKB/SwissProt
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| 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly... |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM118339
(US8653111, 72)Show InChI InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00415 BindingDB Entry DOI: 10.7270/Q2CN7810 |
More data for this Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM107704
(US11426393, Compound Table XV.11 | US8598210, 119 ...)Show InChI InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00415 BindingDB Entry DOI: 10.7270/Q2CN7810 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271950
(CHEMBL4127821)Show InChI InChI=1S/C9H6ClFO2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50596053
(CHEMBL5173876) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50606586
(DAPRODUSTAT | Daprodustat | GSK-1278863 | GSK12788...)Show SMILES OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00415 BindingDB Entry DOI: 10.7270/Q2CN7810 |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271847
(CHEMBL4127736)Show InChI InChI=1S/C9H6Cl2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4- | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50606681
(CHEMBL5219846)Show SMILES OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O | PDB MMDB
KEGG
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271833
(CHEMBL3792857)Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3- | PDB
UniProtKB/SwissProt
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| PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271834
(CHEMBL3234727)Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271878
(CHEMBL4125829)Show InChI InChI=1S/C9H6F2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Peptidoglycan D,D-transpeptidase FtsI
(Pseudomonas aeruginosa) | BDBM50240426
((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r| Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 | PDB MMDB
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UniProtKB/TrEMBL
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| n/a | n/a | 166 | n/a | n/a | n/a | n/a | 7.2 | 25 |
University of Oxford
| Assay Description An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ... |
ACS Chem Biol 8: 2112-6 (2013)
Article DOI: 10.1021/cb400200h BindingDB Entry DOI: 10.7270/Q2VT1QRK |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271893
(CHEMBL4128221)Show InChI InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13- | PDB
UniProtKB/SwissProt
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| PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271963
(CHEMBL1559342)Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9- | PDB
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5C
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4E
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4D
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4C
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4B
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 3A
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4A
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 6A
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 6B
(Homo sapiens (Human)) | BDBM50396018
(CHEMBL1230640)Show InChI InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 4E
(Homo sapiens (Human)) | BDBM50395083
(CHEMBL2164246)Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | PDB MMDB
KEGG
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Aeromonas hydrophila) | BDBM50271833
(CHEMBL3792857)Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3- | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271889
(CHEMBL4129411)Show InChI InChI=1S/C11H12O2S/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-6,14H,1-2H3,(H,12,13)/b10-6- | PDB
UniProtKB/SwissProt
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395083
(CHEMBL2164246)Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | PDB
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University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50247639
(CHEMBL4068716)Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O Show InChI InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8- | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271952
(CHEMBL4126465)Show InChI InChI=1S/C9H5F3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3- | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50606682
(CHEMBL5220094)Show SMILES OC(=O)CNC(=O)c1nc(Nc2ccc(cn2)[N+]([O-])=O)ccc1O | PDB MMDB
KEGG
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395078
(CHEMBL2164245)Show InChI InChI=1S/C5H10N2O3/c1-6-7-4(8)2-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 4E
(Homo sapiens (Human)) | BDBM50129197
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8) | PDB MMDB
KEGG
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 3A
(Homo sapiens (Human)) | BDBM50596053
(CHEMBL5173876) | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50129197
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50606686
(CHEMBL5219336)Show SMILES CNC(=O)c1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 5C
(Homo sapiens (Human)) | BDBM50395083
(CHEMBL2164246)Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | PDB MMDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM5C catalytic domain expressed in Sf9 cells using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Histone lysine demethylase PHF8
(Homo sapiens (Human)) | BDBM50395083
(CHEMBL2164246)Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9) | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Histone lysine demethylase PHF8
(Homo sapiens (Human)) | BDBM50395076
(CHEMBL2164243)Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | PDB
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50197063
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) | PDB
UniProtKB/SwissProt
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University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271891
(CHEMBL4129450)Show SMILES CN1CCN(CC1)NC(=O)CN1C(=O)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O Show InChI InChI=1S/C17H17Cl3N4O3S/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8- | PDB
UniProtKB/SwissProt
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271835
(CHEMBL4095898)Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6- | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271824
(CHEMBL4129233)Show InChI InChI=1S/C10H10O2S/c1-7-2-4-8(5-3-7)6-9(13)10(11)12/h2-6,13H,1H3,(H,11,12)/b9-6- | PDB
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| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50606684
(CHEMBL5220148) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Prolyl hydroxylase EGLN2
(Homo sapiens (Human)) | BDBM26106
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 842 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of PHD1 by HTRF assay |
Bioorg Med Chem Lett 20: 6125-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.032 BindingDB Entry DOI: 10.7270/Q22B8Z7F |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271798
(CHEMBL3221923)Show InChI InChI=1S/C9H7ClO2S/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5- | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50606685
(CHEMBL5219099)Show SMILES COC(=O)c1ccc(Nc2ccc(O)c(n2)C(=O)NCC(O)=O)cc1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase type 2
(Bacillus cereus) | BDBM50271868
(CHEMBL4125695)Show InChI InChI=1S/C9H6Cl2O2S/c10-6-3-1-2-5(8(6)11)4-7(14)9(12)13/h1-4,14H,(H,12,13)/b7-4- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay |
Bioorg Med Chem 26: 2928-2936 (2018)
Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 6B
(Homo sapiens (Human)) | BDBM50129197
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human KDM6B catalytic domain expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |