BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with Target = 'DNMT3A2/3L complex'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239291
PNG
(CHEMBL4091463)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12
Show InChI InChI=1S/C37H39N7O/c1-2-8-30-28(6-1)7-5-11-33(30)39-18-19-41-37-32-13-12-29(24-36(32)42-26-43-37)45-25-27-15-21-44(22-16-27)23-20-40-35-14-17-38-34-10-4-3-9-31(34)35/h1-14,17,24,26-27,39H,15-16,18-23,25H2,(H,38,40)(H,41,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 300n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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 (Human))
BDBM50239294
PNG
(CHEMBL4070517)
Show SMILES Clc1cccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)c1
Show InChI InChI=1S/C33H35ClN6O/c34-26-5-3-4-24(20-26)10-14-37-33-29-9-8-27(21-32(29)38-23-39-33)41-22-25-12-17-40(18-13-25)19-16-36-31-11-15-35-30-7-2-1-6-28(30)31/h1-9,11,15,20-21,23,25H,10,12-14,16-19,22H2,(H,35,36)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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
Show InChI InChI=1S/C38H38N6O/c1-2-6-30(7-3-1)31-12-10-28(11-13-31)25-41-38-34-15-14-32(24-37(34)42-27-43-38)45-26-29-17-21-44(22-18-29)23-20-40-36-16-19-39-35-9-5-4-8-33(35)36/h1-16,19,24,27,29H,17-18,20-23,25-26H2,(H,39,40)(H,41,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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
Show InChI InChI=1S/C33H35ClN6O/c34-26-7-5-24(6-8-26)11-15-37-33-29-10-9-27(21-32(29)38-23-39-33)41-22-25-13-18-40(19-14-25)20-17-36-31-12-16-35-30-4-2-1-3-28(30)31/h1-10,12,16,21,23,25H,11,13-15,17-20,22H2,(H,35,36)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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
Show InChI InChI=1S/C36H42N6O3/c1-43-34-22-30-31(12-16-37-33(30)23-35(34)44-2)38-17-20-42-18-13-27(14-19-42)24-45-28-10-11-29-32(21-28)40-25-41-36(29)39-15-6-9-26-7-4-3-5-8-26/h3-5,7-8,10-12,16,21-23,25,27H,6,9,13-15,17-20,24H2,1-2H3,(H,37,38)(H,39,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506784
PNG
(CHEMBL4527662)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C38H42N6O2/c1-45-35-25-33-34(26-36(35)46-28-30-13-7-3-8-14-30)40-38(44-23-21-43(22-24-44)32-15-9-4-10-16-32)41-37(33)39-31-17-19-42(20-18-31)27-29-11-5-2-6-12-29/h2-16,25-26,31H,17-24,27-28H2,1H3,(H,39,40,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
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
Show InChI InChI=1S/C38H40N6O/c1-2-11-32-29(7-1)8-5-9-30(32)10-6-19-41-38-34-15-14-31(25-37(34)42-27-43-38)45-26-28-17-22-44(23-18-28)24-21-40-36-16-20-39-35-13-4-3-12-33(35)36/h1-5,7-9,11-16,20,25,27-28H,6,10,17-19,21-24,26H2,(H,39,40)(H,41,42,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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
Show InChI InChI=1S/C35H40N6O/c1-26-22-33(30-11-5-6-12-32(30)40-26)36-18-21-41-19-15-28(16-20-41)24-42-29-13-14-31-34(23-29)38-25-39-35(31)37-17-7-10-27-8-3-2-4-9-27/h2-6,8-9,11-14,22-23,25,28H,7,10,15-21,24H2,1H3,(H,36,40)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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=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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
BDBM50506776
PNG
(CHEMBL4442279)
Show SMILES C(N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
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=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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
BDBM50239289
PNG
(CHEMBL4096752)
Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1
Show InChI InChI=1S/C34H38N6O2/c1-41-27-8-6-25(7-9-27)12-16-37-34-30-11-10-28(22-33(30)38-24-39-34)42-23-26-14-19-40(20-15-26)21-18-36-32-13-17-35-31-5-3-2-4-29(31)32/h2-11,13,17,22,24,26H,12,14-16,18-21,23H2,1H3,(H,35,36)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50239284
PNG
(CHEMBL4096360)
Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1
Show InChI InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(H,35,36)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.40E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506786
PNG
(CHEMBL4469152)
Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.60E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506774
PNG
(CHEMBL4470149)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
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
Show InChI InChI=1S/C33H36N6O/c1-2-6-25(7-3-1)12-16-36-33-29-11-10-27(22-32(29)37-24-38-33)40-23-26-14-19-39(20-15-26)21-18-35-31-13-17-34-30-9-5-4-8-28(30)31/h1-11,13,17,22,24,26H,12,14-16,18-21,23H2,(H,34,35)(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.90E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506789
PNG
(CHEMBL4470318)
Show SMILES C(CN1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C32H38N6/c1-3-10-26(11-4-1)12-9-19-36-20-17-27(18-21-36)33-31-29-15-7-8-16-30(29)34-32(35-31)38-24-22-37(23-25-38)28-13-5-2-6-14-28/h1-8,10-11,13-16,27H,9,12,17-25H2,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.10E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506782
PNG
(CHEMBL4461581)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1
Show InChI InChI=1S/C31H36FN5O3/c1-38-25-10-6-21(7-11-25)12-15-37-16-13-24(14-17-37)34-30-26-18-28(39-2)29(40-3)19-27(26)35-31(36-30)33-20-22-4-8-23(32)9-5-22/h4-11,18-19,24H,12-17,20H2,1-3H3,(H2,33,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.20E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506783
PNG
(CHEMBL4582042)
Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C32H38N6O2/c1-39-29-21-27-28(22-30(29)40-2)34-32(38-19-17-37(18-20-38)26-11-7-4-8-12-26)35-31(27)33-25-13-15-36(16-14-25)23-24-9-5-3-6-10-24/h3-12,21-22,25H,13-20,23H2,1-2H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506790
PNG
(CHEMBL4574840)
Show SMILES COc1ccc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-29-28(22-27)30(32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24)34-31(33-29)37-20-18-36(19-21-37)26-10-6-3-7-11-26/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506788
PNG
(CHEMBL4526979)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6/c1-3-9-25(10-4-1)15-18-35-19-16-26(17-20-35)32-30-28-13-7-8-14-29(28)33-31(34-30)37-23-21-36(22-24-37)27-11-5-2-6-12-27/h1-14,26H,15-24H2,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506785
PNG
(CHEMBL4537137)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O2/c1-39-29-20-26-27(21-28(29)38)33-31(37-18-16-36(17-19-37)25-10-6-3-7-11-25)34-30(26)32-24-12-14-35(15-13-24)22-23-8-4-2-5-9-23/h2-11,20-21,24,38H,12-19,22H2,1H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.20E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
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
Show InChI InChI=1S/C33H37N7O/c1-2-6-26(7-3-1)34-16-17-37-33-29-11-10-27(22-32(29)38-24-39-33)41-23-25-13-19-40(20-14-25)21-18-36-31-12-15-35-30-9-5-4-8-28(30)31/h1-12,15,22,24-25,34H,13-14,16-21,23H2,(H,35,36)(H,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.80E+3n/an/an/an/a



CNRS-Pierre Fabre USR3388

Curated by ChEMBL


Assay Description
Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...


J Med Chem 60: 4665-4679 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00176
BindingDB Entry DOI: 10.7270/Q2MK6G1K
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50506787
PNG
(CHEMBL4558658)
Show SMILES COc1cc2nc(NCc3ccc(F)cc3)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
Show InChI InChI=1S/C27H34FN5O4/c1-27(2,3)37-26(34)33-12-10-19(11-13-33)30-24-20-14-22(35-4)23(36-5)15-21(20)31-25(32-24)29-16-17-6-8-18(28)9-7-17/h6-9,14-15,19H,10-13,16H2,1-5H3,(H2,29,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.70E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75324
PNG
(4-[5-[(Z)-[3-(4-nitrophenyl)-4-oxidanylidene-2-sul...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)o1
Show InChI InChI=1S/C21H12N2O6S2/c24-19-18(31-21(30)22(19)14-5-7-15(8-6-14)23(27)28)11-16-9-10-17(29-16)12-1-3-13(4-2-12)20(25)26/h1-11H,(H,25,26)/b18-11-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 216n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM51783
PNG
(3-[(5E)-5-[1-(2-chlorobenzyl)-2-keto-indolin-3-yli...)
Show SMILES OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C21H15ClN2O4S2/c22-14-7-3-1-5-12(14)11-24-15-8-4-2-6-13(15)17(19(24)27)18-20(28)23(21(29)30-18)10-9-16(25)26/h1-8H,9-11H2,(H,25,26)/b18-17+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.03E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75325
PNG
(4-[(E)-[3-(2-hydroxy-2-oxoethyl)-4-oxidanylidene-2...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2ccc(cc2)C(O)=O)C1=O
Show InChI InChI=1S/C13H9NO5S2/c15-10(16)6-14-11(17)9(21-13(14)20)5-7-1-3-8(4-2-7)12(18)19/h1-5H,6H2,(H,15,16)(H,18,19)/b9-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.45E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75326
PNG
(2-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thi...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2cccc(c2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C12H8N2O5S2/c15-10(16)6-13-11(17)9(21-12(13)20)5-7-2-1-3-8(4-7)14(18)19/h1-5H,6H2,(H,15,16)/b9-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75327
PNG
(2-[(5E)-4-oxidanylidene-5-(phenylazanylmethylidene...)
Show SMILES OC(=O)Cn1c(O)c(C=Nc2ccccc2)sc1=S
Show InChI InChI=1S/C12H10N2O3S2/c15-10(16)7-14-11(17)9(19-12(14)18)6-13-8-4-2-1-3-5-8/h1-6,17H,7H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.64E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75328
PNG
(2-[(5Z)-4-keto-5-p-anisylidene-2-thioxo-thiazolidi...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C15H13NO6S2/c1-22-9-4-2-8(3-5-9)6-11-13(19)16(15(23)24-11)10(14(20)21)7-12(17)18/h2-6,10H,7H2,1H3,(H,17,18)(H,20,21)/b11-6-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM75329
PNG
(2-[4-[(Z)-[2-(4-hydroxy-N-methyl-anilino)-4-keto-2...)
Show SMILES COc1cc(\C=C2/SC(=NC2=O)N(C)c2ccc(O)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C20H18N2O6S/c1-22(13-4-6-14(23)7-5-13)20-21-19(26)17(29-20)10-12-3-8-15(16(9-12)27-2)28-11-18(24)25/h3-10,23H,11H2,1-2H3,(H,24,25)/b17-10-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM28637
PNG
(cid_4289057 | ethyl 2-[(2-{[(2H-1,3-benzodioxol-5-...)
Show SMILES CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46212
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(4-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-3-5-14(6-4-12)24-18(26)10-25-21(29)17(33-22(25)30)9-13-7-15(23)20(16(8-13)31-2)32-11-19(27)28/h3-9H,10-11H2,1-2H3,(H,24,26)(H,27,28)/b17-9-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 313n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46213
PNG
(2-[4-[[6-carbethoxy-3-keto-7-methyl-5-[4-(methylth...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.52E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46214
PNG
(2-[4-[[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methy...)
Show SMILES CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46215
PNG
(2-[4-[[5-(4-chlorophenyl)-6-isopropoxycarbonyl-3-k...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46217
PNG
(2-(2-dibenzothiophenyloxy)-2-methylpropanoic acid ...)
Show SMILES CC(C)(Oc1ccc2sc3ccccc3c2c1)C(O)=O
Show InChI InChI=1S/C16H14O3S/c1-16(2,15(17)18)19-10-7-8-14-12(9-10)11-5-3-4-6-13(11)20-14/h3-9H,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46218
PNG
(2-(3-methyl-4-methylsulfanyl-phenoxy)ethanoic acid...)
Show SMILES CSc1ccc(OCC(O)=O)cc1C
Show InChI InChI=1S/C10H12O3S/c1-7-5-8(13-6-10(11)12)3-4-9(7)14-2/h3-5H,6H2,1-2H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46219
PNG
(2-(3-methyl-4-methylsulfinyl-phenoxy)acetic acid |...)
Show SMILES Cc1cc(OCC(O)=O)ccc1S(C)=O
Show InChI InChI=1S/C10H12O4S/c1-7-5-8(14-6-10(11)12)3-4-9(7)15(2)13/h3-5H,6H2,1-2H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46220
PNG
(2-(3-methyl-4-methylsulfonyl-phenoxy)ethanoic acid...)
Show SMILES Cc1cc(OCC(O)=O)ccc1S(C)(=O)=O
Show InChI InChI=1S/C10H12O5S/c1-7-5-8(15-6-10(11)12)3-4-9(7)16(2,13)14/h3-5H,6H2,1-2H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM50
PNG
((2-Naphthyloxy)acetic acid | 2-(2-naphthalenyloxy)...)
Show SMILES OC(=O)COc1ccc2ccccc2c1
Show InChI InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46221
PNG
((4-nitrophenyl) 2-(2,6-dichlorophenoxy)acetate | (...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)COc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C14H9Cl2NO5/c15-11-2-1-3-12(16)14(11)21-8-13(18)22-10-6-4-9(5-7-10)17(19)20/h1-7H,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46224
PNG
(2-[2-bromanyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-o...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1
Show InChI InChI=1S/C21H19BrN2O5S/c1-3-12-4-6-14(7-5-12)23-21-24-20(27)17(30-21)10-13-8-15(22)19(16(9-13)28-2)29-11-18(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)(H,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46235
PNG
(4-[[2-bromanyl-4-[(E)-2-cyano-2-(3-fluorophenyl)et...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
Show InChI InChI=1S/C23H15BrFNO3/c24-21-11-16(10-19(13-26)18-2-1-3-20(25)12-18)6-9-22(21)29-14-15-4-7-17(8-5-15)23(27)28/h1-12H,14H2,(H,27,28)/b19-10-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.65E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46236
PNG
(4-[8-[(3-chloranyl-2-methyl-phenyl)sulfamoyl]-3a,4...)
Show SMILES Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H23ClN2O4S/c1-15-22(27)6-3-7-23(15)29-34(32,33)18-12-13-24-21(14-18)19-4-2-5-20(19)25(28-24)16-8-10-17(11-9-16)26(30)31/h2-4,6-14,19-20,25,28-29H,5H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46237
PNG
(4-[3-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazol...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C22H20N2O6S2/c1-29-16-8-3-13(11-17(16)30-2)12-18-20(26)24(22(31)32-18)10-9-19(25)23-15-6-4-14(5-7-15)21(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,27,28)/b18-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.13E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46238
PNG
(3-[[2-chloranyl-4-[(E)-2-cyano-2-(3-fluorophenyl)e...)
Show SMILES OC(=O)c1cccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Cl)c1
Show InChI InChI=1S/C23H15ClFNO3/c24-21-11-15(9-19(13-26)17-4-2-6-20(25)12-17)7-8-22(21)29-14-16-3-1-5-18(10-16)23(27)28/h1-12H,14H2,(H,27,28)/b19-9-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.70E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens (Human))
BDBM46239
PNG
(4-[[4-[(E)-2-cyano-2-(3-fluorophenyl)ethenyl]pheno...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2)cc1
Show InChI InChI=1S/C23H16FNO3/c24-21-3-1-2-19(13-21)20(14-25)12-16-6-10-22(11-7-16)28-15-17-4-8-18(9-5-17)23(26)27/h1-13H,15H2,(H,26,27)/b20-12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28G8J5T
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 126 total )  |  Next  |  Last  >>
Jump to: