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Compile Data Set for Download or QSAR

Found 11 hits of ec50 for UniProtKB: P26358   
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
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
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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n/an/an/an/a 1.02E+4n/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human His-DNMT1 using [methyl-3H]SAM as substrate after 2 hrs


Bioorg Med Chem 23: 5946-53 (2015)


BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239292
PNG
(CHEMBL4070549)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12
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n/an/an/an/a 1.60E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239291
PNG
(CHEMBL4091463)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12
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n/an/an/an/a 2.00E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239285
PNG
(CHEMBL4096869)
Show SMILES Cc1cc(NCCN2CCC(COc3ccc4c(NCCCc5ccccc5)ncnc4c3)CC2)c2ccccc2n1
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n/an/an/an/a 2.40E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239288
PNG
(CHEMBL4097685)
Show SMILES Clc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
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n/an/an/an/a 2.60E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239289
PNG
(CHEMBL4096752)
Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
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n/an/an/an/a 2.70E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239293
PNG
(CHEMBL4076088)
Show SMILES COc1cc2nccc(NCCN3CCC(COc4ccc5c(NCCCc6ccccc6)ncnc5c4)CC3)c2cc1OC
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n/an/an/an/a 3.00E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239286
PNG
(CHEMBL4084601)
Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
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n/an/an/an/a 3.20E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239284
PNG
(CHEMBL4096360)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1
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n/an/an/an/a 4.60E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239287
PNG
(CHEMBL4100095)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1
PDB

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n/an/an/an/a 7.30E+4n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239290
PNG
(CHEMBL4099197)
Show SMILES C(CN1CCC(COc2ccc3c(NCc4ccc(cc4)-c4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
PDB

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n/an/an/an/a 1.00E+5n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL




J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
More data for this
Ligand-Target Pair