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Compile Data Set for Download or QSAR

Found 6 hits of ec50 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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 280n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K36me2 level after 48 hrs by Hoechst 33258 staining based immunofluorescence as...


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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 660n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K9me3 level after 48 hrs by Hoechst 33258 staining based immunofluorescence ass...


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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 900n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K9me3 level after 48 hrs by Hoechst 33258 staining based immunofluorescence ass...


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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 930n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K36me2 level after 48 hrs by Hoechst 33258 staining based immunofluorescence as...


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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K36me2 level after 48 hrs by Hoechst 33258 staining based immunofluorescence as...


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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.96E+3n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of KDM2A in human MIAPaCa2 cells assessed as increase in H3K9me3 level after 48 hrs by Hoechst 33258 staining based immunofluorescence ass...


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