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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 50000293   
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
DNMT3A2/3L complex


(Homo sapiens)
BDBM50430056
PNG
(CHEMBL2336409 | SGI-1027)
Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay


Bioorg Med Chem 23: 5946-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.066
BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens)
BDBM50110805
PNG
(CHEMBL3605964)
Show SMILES CCOCC(C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c12
Show InChI InChI=1S/C16H16ClN5O2/c1-2-24-7-12(14(23)10-3-5-11(17)6-4-10)22-9-21-16-13(22)15(18)19-8-20-16/h3-6,8-9,12H,2,7H2,1H3,(H2,18,19,20)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay


Bioorg Med Chem 23: 5946-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.066
BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens)
BDBM50110807
PNG
(CHEMBL3605935)
Show SMILES CCSCC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc12
Show InChI InChI=1S/C18H17ClN2OS/c1-2-23-11-17(18(22)13-7-9-14(19)10-8-13)21-12-20-15-5-3-4-6-16(15)21/h3-10,12,17H,2,11H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay


Bioorg Med Chem 23: 5946-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.066
BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens)
BDBM50110806
PNG
(CHEMBL3605951)
Show SMILES Clc1ccc(cc1)C(=O)C(=C)n1cnc2ccccc12
Show InChI InChI=1S/C16H11ClN2O/c1-11(16(20)12-6-8-13(17)9-7-12)19-10-18-14-4-2-3-5-15(14)19/h2-10H,1H2
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PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay


Bioorg Med Chem 23: 5946-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.066
BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair