Found 17 hits for monomerid = 50436040 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Homo sapiens lysine demethylase 2A (KDM2A)
(Homo sapiens (Human)) | BDBM50436040
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presenc... |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presenc... |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant 6xHis-tagged JHDM1A (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay in presenc... |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysine-specific demethylase 6B
(Homo sapiens (Human)) | BDBM50436040
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Inhibition of recombinant 6xHis-tagged JMJD3 (unknown origin) expressed in Escherichia coli BL21 |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Lysine-specific demethylase 4A (KDM4A)
(Homo sapiens (Human)) | BDBM50436040
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado
Curated by ChEMBL
| Assay Description
Inhibition of JMJD2A (unknown origin) |
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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.12E+5 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/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
(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 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)| 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 | PDB
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UniProtKB/TrEMBL
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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