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Compile Data Set for Download or QSAR

Found 101 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/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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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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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
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens)
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-
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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)
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+
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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)
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+
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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)
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+
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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)
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)
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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)
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-
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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)
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-
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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)
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)
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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)
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-
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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)
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)
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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)
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)
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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)
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)
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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)
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)
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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)
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)
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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)
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)
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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)
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)
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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)
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)
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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)
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
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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)
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)
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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)
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-
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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)
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)
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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)
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-
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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)
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-
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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)
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-
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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
tyrosine-protein phosphatase non-receptor type 12 isoform 2


(Homo sapiens)
BDBM46240
PNG
(4-[(E)-2-[3-bromanyl-4-[(4-fluorophenyl)methoxy]ph...)
Show SMILES OC(=O)c1ccc(cc1)C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)\C#N
Show InChI InChI=1S/C23H15BrFNO3/c24-21-12-16(3-10-22(21)29-14-15-1-8-20(25)9-2-15)11-19(13-26)17-4-6-18(7-5-17)23(27)28/h1-12H,14H2,(H,27,28)/b19-11-
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n/an/a 7.56E+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)
BDBM46241
PNG
(4-[[3-(4-fluorophenyl)-2-keto-chromen-7-yl]oxymeth...)
Show SMILES COC(=O)c1ccc(COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)cc1
Show InChI InChI=1S/C24H17FO5/c1-28-23(26)17-4-2-15(3-5-17)14-29-20-11-8-18-12-21(24(27)30-22(18)13-20)16-6-9-19(25)10-7-16/h2-13H,14H2,1H3
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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)
BDBM46242
PNG
(4-[[4-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]-2-me...)
Show SMILES COc1cc(\C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H18FNO4/c1-29-23-13-17(12-20(14-26)18-7-9-21(25)10-8-18)4-11-22(23)30-15-16-2-5-19(6-3-16)24(27)28/h2-13H,15H2,1H3,(H,27,28)/b20-12+
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n/an/a 2.21E+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)
BDBM46243
PNG
(4-[[2-chloranyl-4-[(E)-2-cyano-2-(3-fluorophenyl)e...)
Show SMILES CCOc1cc(\C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H19ClFNO4/c1-2-31-23-12-17(10-20(14-28)19-4-3-5-21(27)13-19)11-22(26)24(23)32-15-16-6-8-18(9-7-16)25(29)30/h3-13H,2,15H2,1H3,(H,29,30)/b20-10-
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n/an/a 5.08E+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)
BDBM46244
PNG
(3-[[(E)-3-[4-(4-chlorobenzyl)oxyphenyl]-2-cyano-ac...)
Show SMILES OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
Show InChI InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/b19-12+
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n/an/a 2.91E+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)
BDBM46245
PNG
(4-keto-5-methyl-2-[(E)-2-(4-methyl-3-nitro-phenyl)...)
Show SMILES Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O
Show InChI InChI=1S/C17H13N3O5S/c1-8-3-4-10(7-11(8)20(24)25)5-6-12-18-15(21)13-9(2)14(17(22)23)26-16(13)19-12/h3-7H,1-2H3,(H,22,23)(H,18,19,21)
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n/an/a 3.43E+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)
BDBM46246
PNG
(4-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]me...)
Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
Show InChI InChI=1S/C19H14N2O4S3/c22-16(23)6-3-9-21-18(24)15(28-19(21)26)10-11-7-8-13(25-11)17-20-12-4-1-2-5-14(12)27-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,22,23)/b15-10-
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n/an/a 1.63E+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)
BDBM46247
PNG
(2-[4-[(E)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-y...)
Show SMILES OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32)/b27-13+
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n/an/a 334n/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)
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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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)
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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n/an/a 8.92E+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)
BDBM46266
PNG
(2-[2-chloranyl-4-[(E)-[5-(2-chlorophenyl)-6-ethoxy...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C\c3cc(Cl)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl
Show InChI InChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-7-5-6-8-16(15)27)24(33)19(38-26)11-14-9-17(28)23(18(10-14)35-3)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)/b19-11+
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n/an/a 7.63E+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)
BDBM46267
PNG
(2-[2-chloranyl-6-methoxy-4-[(Z)-[3-[2-[(3-methylph...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C22H19ClN2O7S/c1-12-4-3-5-14(6-12)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-
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n/an/a 2.20E+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)
BDBM46269
PNG
(2-[4-[(E)-[2-(3-bromoanilino)-4-keto-2-thiazolin-5...)
Show SMILES COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCC(O)=O
Show InChI InChI=1S/C19H15BrN2O5S/c1-26-15-7-11(5-6-14(15)27-10-17(23)24)8-16-18(25)22-19(28-16)21-13-4-2-3-12(20)9-13/h2-9H,10H2,1H3,(H,23,24)(H,21,22,25)
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n/an/a 7.86E+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)
BDBM46270
PNG
(2-[2-chloranyl-4-[(Z)-[2-[(4-ethylphenyl)amino]-4-...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H17ClN2O4S/c1-2-12-3-6-14(7-4-12)22-20-23-19(26)17(28-20)10-13-5-8-16(15(21)9-13)27-11-18(24)25/h3-10H,2,11H2,1H3,(H,24,25)(H,22,23,26)
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n/an/a 7.69E+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)
BDBM46271
PNG
(2-[2-chloro-6-ethoxy-4-[(E)-[2-(4-fluoroanilino)-4...)
Show SMILES CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC
Show InChI InChI=1S/C22H20ClFN2O5S/c1-3-29-17-10-13(9-16(23)20(17)31-12-19(27)30-4-2)11-18-21(28)26-22(32-18)25-15-7-5-14(24)6-8-15/h5-11H,3-4,12H2,1-2H3,(H,25,26,28)
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n/an/a 9.35E+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)
BDBM46272
PNG
(2-[2-ethoxy-6-iodanyl-4-[(E)-(4-oxidanylidene-2-ph...)
Show SMILES CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O
Show InChI InChI=1S/C20H17IN2O5S/c1-2-27-15-9-12(8-14(21)18(15)28-11-17(24)25)10-16-19(26)23-20(29-16)22-13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,24,25)(H,22,23,26)
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n/an/a 7.60E+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)
BDBM46273
PNG
(2-[2-chloranyl-6-ethoxy-4-[(E)-[2-(naphthalen-2-yl...)
Show SMILES CCOc1cc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc(Cl)c1OCC(O)=O
Show InChI InChI=1S/C24H19ClN2O5S/c1-2-31-19-10-14(9-18(25)22(19)32-13-21(28)29)11-20-23(30)27-24(33-20)26-17-8-7-15-5-3-4-6-16(15)12-17/h3-12H,2,13H2,1H3,(H,28,29)(H,26,27,30)
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n/an/a 4.76E+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)
BDBM46274
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[3-[2-[(4-methylpheny...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
Show InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8-
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n/an/a 2.79E+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)
BDBM46275
PNG
(2-[2-chloro-4-[(Z)-[2,4-diketo-3-[2-keto-2-(p-tolu...)
Show SMILES CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC
Show InChI InChI=1S/C24H23ClN2O7S/c1-4-33-18-10-15(9-17(25)22(18)34-13-21(29)32-3)11-19-23(30)27(24(31)35-19)12-20(28)26-16-7-5-14(2)6-8-16/h5-11H,4,12-13H2,1-3H3,(H,26,28)/b19-11-
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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)
BDBM46276
PNG
(2-[2,6-bis(chloranyl)-4-[(Z)-[6-ethoxycarbonyl-5-(...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1
Show InChI InChI=1S/C26H22Cl2N2O7S/c1-4-36-25(34)21-13(2)29-26-30(22(21)15-6-5-7-16(11-15)35-3)24(33)19(38-26)10-14-8-17(27)23(18(28)9-14)37-12-20(31)32/h5-11,22H,4,12H2,1-3H3,(H,31,32)/b19-10-
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n/an/a 7.99E+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)
BDBM46280
PNG
(2-[4-[(Z)-[2-(4-ethylanilino)-4-keto-2-thiazolin-5...)
Show SMILES CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1
Show InChI InChI=1S/C20H18N2O4S/c1-2-13-3-7-15(8-4-13)21-20-22-19(25)17(27-20)11-14-5-9-16(10-6-14)26-12-18(23)24/h3-11H,2,12H2,1H3,(H,23,24)(H,21,22,25)
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n/an/a 1.26E+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)
BDBM46281
PNG
(2-[4-[(Z)-[2-(4-fluoroanilino)-4-keto-2-thiazolin-...)
Show SMILES COC(=O)COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1
Show InChI InChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)
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n/an/a 975n/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
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