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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'ausseil' and Initial = 'f'   
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
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241922
PNG
(CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241929
PNG
(CHEMBL520861 | Mahureone D)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6]-[#6](-[#6])-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8|
Show InChI InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,26H,10-11,13,15-18H2,1-9H3,(H,34,35)
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n/an/a 1.20E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241923
PNG
(CHEMBL521208 | mahureone A)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10|
Show InChI InChI=1S/C35H46O6/c1-21(2)14-15-25-20-35(17-16-22(3)4)31(39)29(27(36)18-23(5)6)33(40)41-32(35)30(34(25,7)8)26(19-28(37)38)24-12-10-9-11-13-24/h9-14,16,23,25-26,29H,15,17-20H2,1-8H3,(H,37,38)
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n/an/a 2.80E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241924
PNG
(CHEMBL486797 | Mahureone B)
Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](=O)-[#6]-1-[#6](=O)-[#8]-[#6]2=[#6](-[#6](-[#6]-[#6](-[#8])=O)-c3ccccc3)C([#6])([#6])[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |c:10|
Show InChI InChI=1S/C35H46O6/c1-9-23(6)30(38)28-31(39)35(18-17-22(4)5)20-25(16-15-21(2)3)34(7,8)29(32(35)41-33(28)40)26(19-27(36)37)24-13-11-10-12-14-24/h10-15,17,23,25-26,28H,9,16,18-20H2,1-8H3,(H,36,37)
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n/an/a 7.30E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241930
PNG
(CHEMBL486194 | Mahureone E)
Show SMILES [#6]-[#6]-[#6]-[#6](-[#6]-[#6](-[#8])=O)-[#6]1=[#6]2-[#8]-[#6](=O)-[#6](-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](=O)C2([#6]\[#6]=[#6](\[#6])-[#6])[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])C1([#6])[#6] |c:8|
Show InChI InChI=1S/C32H48O6/c1-10-12-22(17-24(33)34)26-29-32(16-15-20(5)6,18-23(31(26,8)9)14-13-19(3)4)28(36)25(30(37)38-29)27(35)21(7)11-2/h13,15,21-23,25H,10-12,14,16-18H2,1-9H3,(H,33,34)
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n/an/a 3.42E+5n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(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 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)


BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50110805
PNG
(CHEMBL3605964)
Show SMILES CCOCC(C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c12
Show InChI InChI=1/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)


BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
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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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)


BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50110807
PNG
(CHEMBL3605935)
Show SMILES CCSCC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc12
Show InChI InChI=1/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)


BindingDB Entry DOI: 10.7270/Q2P270X8
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239284
PNG
(CHEMBL4096360)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1
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n/an/an/an/a 4.40E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239285
PNG
(CHEMBL4096869)
Show SMILES Cc1cc(NCCN2CCC(COc3ccc4c(NCCCc5ccccc5)ncnc4c3)CC2)c2ccccc2n1
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n/an/an/an/a 2.10E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239286
PNG
(CHEMBL4084601)
Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
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n/an/an/an/a 4.90E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239287
PNG
(CHEMBL4100095)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1
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n/an/an/an/a 6.80E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239288
PNG
(CHEMBL4097685)
Show SMILES Clc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
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n/an/an/an/a 1.20E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239289
PNG
(CHEMBL4096752)
Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
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n/an/an/an/a 3.40E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239290
PNG
(CHEMBL4099197)
Show SMILES C(CN1CCC(COc2ccc3c(NCc4ccc(cc4)-c4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12
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n/an/an/an/a 1.10E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239291
PNG
(CHEMBL4091463)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12
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n/an/an/an/a 300n/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))
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))
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))
BDBM50239287
PNG
(CHEMBL4100095)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1
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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))
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))
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
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50239292
PNG
(CHEMBL4070549)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12
PDB

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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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239293
PNG
(CHEMBL4076088)
Show SMILES COc1cc2nccc(NCCN3CCC(COc4ccc5c(NCCCc6ccccc6)ncnc5c4)CC3)c2cc1OC
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n/an/an/an/a 1.40E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239294
PNG
(CHEMBL4070517)
Show SMILES Clc1cccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)c1
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n/an/an/an/a 1.00E+3n/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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239292
PNG
(CHEMBL4070549)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12
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n/an/an/an/a 1.90E+3n/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 (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
Collagen type IV alpha-3-binding protein


(Homo sapiens (Human))
BDBM50067353
PNG
(CHEMBL3401792)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 |r|
Show InChI InChI=1/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/s2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair
Collagen type IV alpha-3-binding protein


(Homo sapiens (Human))
BDBM50067352
PNG
(CHEMBL122892)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/m1/s1
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n/an/an/an/a 2.20E+4n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
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
Collagen type IV alpha-3-binding protein


(Homo sapiens (Human))
BDBM50067350
PNG
(CHEMBL3401790)
Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 |r|
Show InChI InChI=1/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/s2
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n/an/an/an/a 2.50E+4n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair
Collagen type IV alpha-3-binding protein


(Homo sapiens (Human))
BDBM50067351
PNG
(CHEMBL3401791)
Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 |r|
Show InChI InChI=1/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/s2
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n/an/an/an/a 1.59E+5n/an/an/an/a



Universit£ Paul Sabatier-Toulouse III

Curated by ChEMBL


Assay Description
Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...


Bioorg Med Chem 23: 2004-9 (2015)


Article DOI: 10.1016/j.bmc.2015.03.019
BindingDB Entry DOI: 10.7270/Q2GT5PVM
More data for this
Ligand-Target Pair