Found 379 hits with Last Name = 'woon' and Initial = 'ec' 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 |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337102
((S)-1-(2-(Diphenylmethyl)benzamido)ethaneboronate ...)Show SMILES C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C22H22BNO3/c1-16(23(26)27)24-22(25)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,26-27H,1H3,(H,24,25)/t16-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337101
((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...)Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
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
antibodypedia GoogleScholar AffyNet
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Similars
| 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
antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50341860
(8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...)Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50341859
(2-(4-chlorophenyl)quinoxaline-5-carboxamide | CHEM...)Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-14-11(15(17)20)2-1-3-12(14)19-13/h1-8H,(H2,17,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM589235
(US11555009, Compound 15 | US11555009, Compound 29)Show SMILES Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(O)=O)c(Cl)c1 | PDB MMDB
KEGG
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| PDB
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337101
((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...)Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50341859
(2-(4-chlorophenyl)quinoxaline-5-carboxamide | CHEM...)Show InChI InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-14-11(15(17)20)2-1-3-12(14)19-13/h1-8H,(H2,17,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438603
(CHEMBL2414044)Show InChI InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438601
(CHEMBL2414046)Show InChI InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438605
(CHEMBL2414042)Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(22)21-14)2-1-3-13(12)20/h1-8H,20H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| 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 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438600
(CHEMBL2414048)Show InChI InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,11H2,1H3,(H,12,13) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Bos taurus) | BDBM27503
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) | PDB MMDB
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UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of calf thymus PARP-1 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | 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 | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438600
(CHEMBL2414048)Show InChI InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,11H2,1H3,(H,12,13) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337094
((S)-1-(2-Fluoro-6-phenylbenzamido)ethaneboronic ac...)Show SMILES C[C@@H](NC(=O)c1c(F)cccc1-c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H15BFNO3/c1-10(16(20)21)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-21H,1H3,(H,18,19)/t10-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27503
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of PARP-1 (unknown origin) in broken nuclear preparation |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438608
(CHEMBL2414049)Show InChI InChI=1S/C14H18N2O/c1-2-3-4-6-10-9-12-11(14(17)16-10)7-5-8-13(12)15/h5,7-9H,2-4,6,15H2,1H3,(H,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438605
(CHEMBL2414042)Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(22)21-14)2-1-3-13(12)20/h1-8H,20H2,(H,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50485565
(CHEMBL465179)Show InChI InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17) | PDB MMDB
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MCE PC cid PC sid UniChem
| | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337100
((S)-1-(2-[(Phenylsulfonyl)amino]benzamido)ethanebo...)Show SMILES C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H17BN2O5S/c1-11(16(20)21)17-15(19)13-9-5-6-10-14(13)18-24(22,23)12-7-3-2-4-8-12/h2-11,18,20-21H,1H3,(H,17,19)/t11-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| 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 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
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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 | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438604
(CHEMBL2414043)Show InChI InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18) | PDB MMDB
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| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
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 | |
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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438599
(CHEMBL2414051)Show InChI InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14) | PDB MMDB
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| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM85848
(CAS_172307 | Fiduxosin | NSC_172307)Show SMILES COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12 Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37) | PDB MMDB
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| | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
D-alanyl-D-alanine carboxypeptidase
(Actinomadura sp. (strain R39)) | BDBM50337095
((S)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...)Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1 | PDB MMDB
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| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Actinomadura R39 PBP after 60 mins |
ACS Med Chem Lett 2: 219-223 (2011)
Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50341860
(8-chloro-2-(4-(4-(4-fluorophenyl)-5,6-dihydropyrid...)Show SMILES Fc1ccc(cc1)C1=CCN(CCCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8| Show InChI InChI=1S/C23H23ClFN3O/c24-20-5-3-4-19-22(20)26-21(27-23(19)29)6-1-2-13-28-14-11-17(12-15-28)16-7-9-18(25)10-8-16/h3-5,7-11H,1-2,6,12-15H2,(H,26,27,29) | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50417150
(CHEMBL4461072)Show InChI InChI=1S/C15H17N3O/c19-15(17-11-6-2-1-3-7-11)14-10-16-12-8-4-5-9-13(12)18-14/h4-5,8-11H,1-3,6-7H2,(H,17,19) | PDB MMDB
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| | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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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) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50341857
(5-Amino-2-(2-carboxyethyl)isoquinolin-1-one | CHEM...)Show InChI InChI=1S/C12H12N2O3/c13-10-3-1-2-9-8(10)4-6-14(12(9)17)7-5-11(15)16/h1-4,6H,5,7,13H2,(H,15,16) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50341856
(5-(Carboxymethylamino)isoquinolin-1-one | CHEMBL17...)Show InChI InChI=1S/C11H10N2O3/c14-10(15)6-13-9-3-1-2-8-7(9)4-5-12-11(8)16/h1-5,13H,6H2,(H,12,16)(H,14,15) | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
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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| n/a | n/a | 570 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438601
(CHEMBL2414046)Show InChI InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19) | PDB MMDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50417861
(CHEMBL4435048)Show InChI InChI=1S/C17H24N4O2/c1-4-21(5-2)12-11-18-16(22)15-17(23-6-3)20-14-10-8-7-9-13(14)19-15/h7-10H,4-6,11-12H2,1-3H3,(H,18,22) | PDB MMDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438602
(CHEMBL2414045)Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50417859
(CHEMBL5268705)Show InChI InChI=1S/C16H14N4O2/c1-2-22-16-14(15(21)18-11-6-5-9-17-10-11)19-12-7-3-4-8-13(12)20-16/h3-10H,2H2,1H3,(H,18,21) | PDB MMDB
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| | n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50596053
(CHEMBL5173876) | PDB MMDB
KEGG
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| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 2
(Mus musculus (Mouse)) | BDBM50438599
(CHEMBL2414051)Show InChI InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14) | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of mouse PARP-2 |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
RNA demethylase ALKBH5
(Homo sapiens) | BDBM50557836
(CHEMBL4752151) | PDB MMDB
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| | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Alpha-ketoglutarate-dependent dioxygenase FTO
(Homo sapiens (Human)) | BDBM50017226
((R)-2-Amino-7-phosphono-heptanoic acid | 2-Amino-7...)Show InChI InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)/t6-/m1/s1 | PDB MMDB
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| | n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438603
(CHEMBL2414044)Show InChI InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438602
(CHEMBL2414045)Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay |
Bioorg Med Chem 21: 5218-27 (2013)
Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27503
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) | PDB MMDB
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| Article PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27503
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12) | PDB MMDB
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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 Bath
Curated by ChEMBL
| Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay |
J Med Chem 54: 2049-59 (2011)
Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC |
More data for this Ligand-Target Pair | |