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Compile Data Set for Download or QSAR

Found 98 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 2A'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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11n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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185n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50158852
PNG
(CHEMBL3785340)
Show SMILES [I-].CCCCCC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C21H29N2.HI/c1-4-5-6-7-16-23-17-14-20(15-18-23)9-8-19-10-12-21(13-11-19)22(2)3;/h8-15,17-18H,4-7,16H2,1-3H3;1H/q+1;/p-1
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280n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50158851
PNG
(CHEMBL3786265)
Show SMILES [I-].CN(C)c1ccc(\C=C\c2cc[n+](Cc3ccc(F)cc3)cc2)cc1
Show InChI InChI=1S/C22H22FN2.HI/c1-24(2)22-11-7-18(8-12-22)3-4-19-13-15-25(16-14-19)17-20-5-9-21(23)10-6-20;/h3-16H,17H2,1-2H3;1H/q+1;/p-1
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420n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50158853
PNG
(CHEMBL3786188)
Show SMILES Cc1ccc(cc1)N1N=C(SC11SCC(=O)N1c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H19N3O2S2/c1-17-12-14-20(15-13-17)27-24(26(21(28)16-30-24)19-10-6-3-7-11-19)31-23(25-27)22(29)18-8-4-2-5-9-18/h2-15H,16H2,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
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)
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1.97E+3n/an/an/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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1.98E+3n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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1.54E+4n/an/an/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
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)
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8.50E+4n/an/an/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276088
PNG
(1-(2-chlorophenyl)-4-{1H-[1,2,3]triazolo[4,5-c]pyr...)
Show SMILES Clc1ccccc1-n1cnc(c1)-c1cc2[nH]nnc2cn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276087
PNG
(1-(4-chlorophenyl)-4-{1H-[1,2,3]triazolo[4,5-c]pyr...)
Show SMILES Clc1ccc(cc1)-n1cnc(c1)-c1cc2[nH]nnc2cn1
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276086
PNG
(1-[(3,4-dichlorophenyl)methyl]-4-{1H-[1,2,3]triazo...)
Show SMILES Clc1ccc(Cn2cnc(c2)-c2cc3[nH]nnc3cn2)cc1Cl
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276085
PNG
(1-[(4-chlorophenyl)methyl]-4-{1H-[1,2,3]triazolo[4...)
Show SMILES Clc1ccc(Cn2cnc(c2)-c2cc3[nH]nnc3cn2)cc1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276084
PNG
(1-[(3-chlorophenyl)methyl]-4-{1H-[1,2,3]triazolo[4...)
Show SMILES Clc1cccc(Cn2cnc(c2)-c2cc3[nH]nnc3cn2)c1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276083
PNG
(1-[(2-chlorophenyl)methyl]-4-{1H-[1,2,3]triazolo[4...)
Show SMILES Clc1ccccc1Cn1cnc(c1)-c1cc2[nH]nnc2cn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276082
PNG
(1-benzyl-4-{1H-[1,2,3]triazolo[4,5-c]pyridin-6-yl}...)
Show SMILES C(c1ccccc1)n1cnc(c1)-c1cc2[nH]nnc2cn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276061
PNG
(2-[1-(2-naphthalen-1-ylethyl)imidazol-4-yl]-4-(1H-...)
Show SMILES C(Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1)c1cccc2ccccc12
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276060
PNG
(2-[1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]i...)
Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2c[nH]nn2)c1Cl
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276059
PNG
(2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-...)
Show SMILES Clc1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2c[nH]nn2)c1Cl
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276047
PNG
(2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(1H...)
Show SMILES CCOc1ccccc1CCn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276046
PNG
(2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imid...)
Show SMILES C(C1CCCc2ccccc12)n1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276045
PNG
(2-[1-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]-4-(1...)
Show SMILES COc1ccccc1CCn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276042
PNG
(2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-met...)
Show SMILES Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276043
PNG
(2-[1-(1-phenylethyl)imidazol-4-yl]-4-(1H-triazol-4...)
Show SMILES CC(c1ccccc1)n1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276044
PNG
(2-[1-[2-(2-chlorophenyl)ethyl]imidazol-4-yl]-4-(1H...)
Show SMILES Clc1ccccc1CCn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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n/an/a 135n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395083
PNG
(CHEMBL2164246)
Show SMILES NNC(=O)CCC(O)=O
Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
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n/an/a 250n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395078
PNG
(CHEMBL2164245)
Show SMILES CNNC(=O)CCC(O)=O
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)
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n/an/a 370n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436039
PNG
(CHEMBL2392185)
Show SMILES NCc1ccc(CNCCCCN(O)C(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C16H23N3O4/c17-11-13-3-5-14(6-4-13)12-18-9-1-2-10-19(23)15(20)7-8-16(21)22/h3-8,18,23H,1-2,9-12,17H2,(H,21,22)/b8-7+
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n/an/a 420n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 using SAPATGGVK(Me2)KPHRYRPGTVAL as substrate incub...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50129197
PNG
(4-(Hydroxyamino)-4-oxobutanoic acid | CHEMBL51979 ...)
Show SMILES ONC(=O)CCC(O)=O
Show InChI InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
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n/an/a 430n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276040
PNG
(2-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-4-(1H-...)
Show SMILES Clc1ccccc1Cn1cnc(c1)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276089
PNG
(1-(3-chlorophenyl)-4-{1H-[1,2,3]triazolo[4,5-c]pyr...)
Show SMILES Clc1cccc(c1)-n1cnc(c1)-c1cc2[nH]nnc2cn1
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n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM276063
PNG
(2-[5-(3-ethoxy-4-fluorophenyl)-1-methylimidazol-4-...)
Show SMILES CCOc1cc(ccc1F)-c1c(ncn1C)-c1cc(ccn1)-c1c[nH]nn1
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n/an/a 550n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of FBXL11 was determined in 384-well plate format under the following reaction conditions: 0.15...


US Patent US10071984 (2018)

More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50197063
PNG
(4,6-dioxoheptanoic acid | CHEMBL222824 | succinyla...)
Show SMILES CC(=O)CC(=O)CCC(O)=O
Show InChI InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)
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n/an/a 570n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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n/an/a 900n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 using SAPATGGVK(Me2)KPHRYRPGTVAL as substrate incub...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50153181
PNG
(CHEMBL3774692)
Show SMILES Nc1nc(cs1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50436040
PNG
(CHEMBL2392184)
Show SMILES NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1
Show InChI InChI=1S/C37H34N4O9S/c38-20-22-3-5-23(6-4-22)21-40(15-1-2-16-41(49)33(44)13-14-34(45)46)37(51)39-24-7-10-27(30(17-24)36(47)48)35-28-11-8-25(42)18-31(28)50-32-19-26(43)9-12-29(32)35/h3-14,17-19,42,49H,1-2,15-16,20-21,38H2,(H,39,51)(H,45,46)(H,47,48)/p-2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 incubated for 30 mins prior to co...


J Med Chem 56: 5198-202 (2013)


Article DOI: 10.1021/jm3018628
BindingDB Entry DOI: 10.7270/Q2VM4DNK
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
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)
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n/an/a 1.50E+3n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
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)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human KDM2A expressed in Escherichia coli by formaldehyde dehydrogenase coupled 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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395076
PNG
(CHEMBL2164243)
Show SMILES CN(C)NC(=O)CCC(O)=O
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)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)


Article DOI: 10.1016/j.chembiol.2017.02.006
BindingDB Entry DOI: 10.7270/Q23N2288
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Oxford



Assay Description
The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...


Nat Chem Biol 12: 539-45 (2016)


Article DOI: 10.1038/nchembio.2087
BindingDB Entry DOI: 10.7270/Q27P8X6K
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50153092
PNG
(CHEMBL3775894)
Show SMILES Clc1cc(Cl)cc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H22Cl2N6O/c24-18-9-17(10-19(25)11-18)16-3-7-30(8-4-16)6-2-15-12-29-31(13-15)22-21-20(1-5-26-22)23(32)28-14-27-21/h1,5,9-14,16H,2-4,6-8H2,(H,27,28,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50153093
PNG
(CHEMBL3775668)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccs2)cn1
Show InChI InChI=1S/C21H22N6OS/c28-21-17-3-7-22-20(19(17)23-14-24-21)27-13-15(12-25-27)4-8-26-9-5-16(6-10-26)18-2-1-11-29-18/h1-3,7,11-14,16H,4-6,8-10H2,(H,23,24,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50440285
PNG
(CHEMBL2424816)
Show SMILES ON(CCC(O)=O)C(=O)CCCCCCCCc1ccccc1
Show InChI InChI=1S/C18H27NO4/c20-17(19(23)15-14-18(21)22)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,23H,1-4,6,9-10,13-15H2,(H,21,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50395082
PNG
(CHEMBL2164247)
Show SMILES CN(C)N(C)C(=O)CCC(O)=O
Show InChI InChI=1S/C7H14N2O3/c1-8(2)9(3)6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,11,12)
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n/an/a 3.70E+3n/an/an/an/an/an/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
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (human))
BDBM50153070
PNG
(CHEMBL3775977)
Show SMILES Clc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-17(2-4-19)18-7-11-29(12-8-18)10-6-16-13-28-30(14-16)22-21-20(5-9-25-22)23(31)27-15-26-21/h1-5,9,13-15,18H,6-8,10-12H2,(H,26,27,31)
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n/an/a 6.74E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
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