Found 305 hits with Last Name = 'leung' and Initial = 'ik' 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
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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 | |
1-phosphatidylinositol phosphodiesterase
(Bacillus cereus) | BDBM50555554
(CHEMBL4751563)Show SMILES [K;v0+].[#16-]-[#6](=S)-[#8]-[#6]-1-[#6]-[#6]-2-[#6]-[#6]-[#6]-1-[#6]-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus cereus phospholipase C by amplex red assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111919 BindingDB Entry DOI: 10.7270/Q2KH0S0K |
More data for this Ligand-Target Pair | |
1-phosphatidylinositol phosphodiesterase
(Bacillus cereus) | BDBM50555553
(CHEMBL4764001)Show SMILES CCCCCOC(=O)CC(CSP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCCCCC | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus cereus phospholipase C using L-alpha-phosphatidylcholine as substrate by Lineweaver-Burk plot analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111919 BindingDB Entry DOI: 10.7270/Q2KH0S0K |
More data for this Ligand-Target Pair | |
1-phosphatidylinositol phosphodiesterase
(Bacillus cereus) | BDBM50555552
(CHEMBL4785156) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Bacillus cereus PC-phospholipase C using phosphoryl-choline as substrate by molybdenum blue dye based assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111919 BindingDB Entry DOI: 10.7270/Q2KH0S0K |
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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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
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 | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50424584
(CHEMBL2312530)Show SMILES OC(=O)Cc1csc(=NC(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O |w:8.8| Show InChI InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis |
J Med Chem 56: 547-55 (2013)
Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV |
More data for this Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50303765
(2-(3-hydroxy-2-((naphthalen-2-ylsulfonyl)carbonyli...)Show SMILES OC(=O)Cc1cs\c(=N/C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O Show InChI InChI=1S/C16H12N2O6S2/c19-14(20)8-12-9-25-15(18(12)22)17-16(21)26(23,24)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,9,22H,8H2,(H,19,20)/b17-15- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHD2 at 293K temperature by solvent relaxation technique |
J Med Chem 53: 867-75 (2010)
Article DOI: 10.1021/jm901537q BindingDB Entry DOI: 10.7270/Q2JD4WWN |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507151
(CHEMBL4438274)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Br)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20BrN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507140
(CHEMBL4440514)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(cc4)[N+]([O-])=O)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20N4O8S/c1-11-21(33)19(15-10-39-25(28-15)29-27-9-13-4-6-14(7-5-13)30(36)37)23-20(22(11)34)26(3)17(38-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,28,29)/b27-9+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507150
(CHEMBL4440114)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Cl)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20ClN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50193145
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB 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 human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysis |
J Med Chem 56: 547-55 (2013)
Article DOI: 10.1021/jm301583m BindingDB Entry DOI: 10.7270/Q26Q1ZJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50193145
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHD2 at 293K temperature by solvent relaxation technique |
J Med Chem 53: 867-75 (2010)
Article DOI: 10.1021/jm901537q BindingDB Entry DOI: 10.7270/Q2JD4WWN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 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) |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507155
(CHEMBL4587610)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4cccc(c4)[N+]([O-])=O)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20N4O8S/c1-11-21(33)19(15-10-39-25(28-15)29-27-9-13-5-4-6-14(7-13)30(36)37)23-20(22(11)34)26(3)17(38-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,28,29)/b27-9+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM11995
(2-chloro-5-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic ac...)Show InChI InChI=1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)10-5-6-12(14)11(7-10)13(16)17/h3-7H,1-2H3,(H,16,17) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of Tdp1 (unknown origin) |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507156
(CHEMBL4475772)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(F)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H20FN3O6S/c1-11-21(33)19(15-10-37-25(29-15)30-28-9-13-4-6-14(27)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)31)24(26)35/h4-10,32-34H,1-3H3,(H,29,30)/b28-9+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507139
(CHEMBL4446104)Show SMILES COc1ccc(\C=N\Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)cc1 |r,t:18,21| Show InChI InChI=1S/C27H23N3O7S/c1-12-22(33)20(16-11-38-26(29-16)30-28-10-14-5-7-15(36-4)8-6-14)24-21(23(12)34)27(3)18(37-24)9-17(32)19(13(2)31)25(27)35/h5-11,32-34H,1-4H3,(H,29,30)/b28-10+/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507153
(CHEMBL4551119)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccccc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H21N3O6S/c1-12-21(32)19(15-11-36-25(28-15)29-27-10-14-7-5-4-6-8-14)23-20(22(12)33)26(3)17(35-23)9-16(31)18(13(2)30)24(26)34/h4-11,31-33H,1-3H3,(H,28,29)/b27-10+/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507152
(CHEMBL4436400)Show SMILES COc1cc(\C=N\Nc2nc(cs2)-c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c2O)ccc1O |r,t:17,20| Show InChI InChI=1S/C27H23N3O8S/c1-11-22(34)20(14-10-39-26(29-14)30-28-9-13-5-6-15(32)17(7-13)37-4)24-21(23(11)35)27(3)18(38-24)8-16(33)19(12(2)31)25(27)36/h5-10,32-35H,1-4H3,(H,29,30)/b28-9+/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 192 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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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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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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
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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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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 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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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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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
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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 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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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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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)) | 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
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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 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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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)) | 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 | |
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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM81347
(L2037 (beta-lapachone))Show InChI InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3 | PDB
KEGG
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human Tdp1 using 5'-biotin-GATCTAAAAGACTT-pY-3' as substrate measured after 20 mins by AlphaScreen assay |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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
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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 | |
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
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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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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01204 BindingDB Entry DOI: 10.7270/Q2BR8X83 |
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
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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)) | 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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507154
(CHEMBL4533174)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(O)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C26H21N3O7S/c1-11-21(33)19(15-10-37-25(28-15)29-27-9-13-4-6-14(31)7-5-13)23-20(22(11)34)26(3)17(36-23)8-16(32)18(12(2)30)24(26)35/h4-10,31-34H,1-3H3,(H,28,29)/b27-9+/t26-/m0/s1 | PDB
KEGG
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| n/a | n/a | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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
Reactome pathway KEGG
UniProtKB/SwissProt
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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 | |
Egl nine homolog 1
(Homo sapiens (Human)) | BDBM50277935
((S)-2-(1-chloro-4-hydroxyisoquinoline-3-carboxamid...)Show SMILES C[C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O |r| Show InChI InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/t6-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 512 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of human PHD2 at 293K temperature by solvent relaxation technique |
J Med Chem 53: 867-75 (2010)
Article DOI: 10.1021/jm901537q BindingDB Entry DOI: 10.7270/Q2JD4WWN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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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| Article PubMed
| 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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50507148
(CHEMBL4455616)Show SMILES CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(Nc4ccccc4)n3)[C@@]2(C)C1=O |r,c:3,t:6| Show InChI InChI=1S/C25H20N2O6S/c1-11-20(30)18(14-10-34-24(27-14)26-13-7-5-4-6-8-13)22-19(21(11)31)25(3)16(33-22)9-15(29)17(12(2)28)23(25)32/h4-10,29-31H,1-3H3,(H,26,27)/t25-/m0/s1 | PDB
KEGG
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B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 (DE3) using 5'-(5,6 FAM-aac gtc agg gtc ttc... |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
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 | |
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
| PC cid PC sid UniChem
| 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 | |
Tyrosyl-DNA phosphodiesterase 1
(Homo sapiens (Human)) | BDBM50388602
(FURAMIDINE)Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23| Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22) | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Siberian Branch of the Russian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human full-length N-terminal His-tagged Tdp1 expressed in Escherichia coli BL21 |
Eur J Med Chem 161: 581-593 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.055 BindingDB Entry DOI: 10.7270/Q2B56P1F |
More data for this Ligand-Target Pair | |