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Compile Data Set for Download or QSAR

Found 10 hits of ki data for polymerid = 441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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MMDB
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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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MMDB
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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