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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'bardenhagen' and Initial = 'j'   
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
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152144
PNG
(CHEMBL3781661)
Show SMILES Cc1cnc(N)nc1OCC(C)(C)C
Show InChI InChI=1S/C10H17N3O/c1-7-5-12-9(11)13-8(7)14-6-10(2,3)4/h5H,6H2,1-4H3,(H2,11,12,13)
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n/an/a 0.200n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152127
PNG
(CHEMBL3780962)
Show SMILES CN(CC(C)(C)C)c1nc(N)ncc1C
Show InChI InChI=1S/C11H20N4/c1-8-6-13-10(12)14-9(8)15(5)7-11(2,3)4/h6H,7H2,1-5H3,(H2,12,13,14)
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n/an/a 0.200n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152129
PNG
(CHEMBL3780596)
Show SMILES CN(CC(C)(C)CO)c1nc(N)ncc1C
Show InChI InChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152130
PNG
(CHEMBL3780613)
Show SMILES Cc1cnc(N)nc1NCC(C)(C)C
Show InChI InChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152145
PNG
(CHEMBL3780032)
Show SMILES Cc1cnc(N)nc1OCC(C)(C)CO
Show InChI InChI=1S/C10H17N3O2/c1-7-4-12-9(11)13-8(7)15-6-10(2,3)5-14/h4,14H,5-6H2,1-3H3,(H2,11,12,13)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152125
PNG
(CHEMBL3781316)
Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MTH1 assessed as hydrolysis of dGTP to dGMP and pyrophosphate after 15 mins by malachite green-based microplate reade...


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152125
PNG
(CHEMBL3781316)
Show SMILES CNc1cc(nc(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
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n/an/a 1.60n/an/an/an/an/an/a



MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152126
PNG
(CHEMBL3780321)
Show SMILES Cc1cnc(N)nc1CCC(C)(C)C
Show InChI InChI=1S/C11H19N3/c1-8-7-13-10(12)14-9(8)5-6-11(2,3)4/h7H,5-6H2,1-4H3,(H2,12,13,14)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152131
PNG
(CHEMBL3781917)
Show SMILES Cc1cnc(N)nc1NCC(C)(C)CO
Show InChI InChI=1S/C10H18N4O/c1-7-4-12-9(11)14-8(7)13-5-10(2,3)6-15/h4,15H,5-6H2,1-3H3,(H3,11,12,13,14)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152138
PNG
(CHEMBL3781015)
Show SMILES CC(C)(CO)COc1nc(N)nc2CCCc12
Show InChI InChI=1S/C12H19N3O2/c1-12(2,6-16)7-17-10-8-4-3-5-9(8)14-11(13)15-10/h16H,3-7H2,1-2H3,(H2,13,14,15)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152124
PNG
(CHEMBL3782004)
Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MTH1 assessed as hydrolysis of dGTP to dGMP and pyrophosphate after 15 mins by malachite green-based microplate reade...


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150818
PNG
(CHEMBL3774575)
Show SMILES CCCOc1cc(OCCCCN(C)C)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C32H42N4O8S/c1-8-14-42-22-16-23(43-15-10-9-13-34(2)3)18-24(17-22)44-30-21-28-27(35(4)32(37)36(28)5)20-26(30)33-45(38,39)25-11-12-29(40-6)31(19-25)41-7/h11-12,16-21,33H,8-10,13-15H2,1-7H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150821
PNG
(CHEMBL3775251)
Show SMILES CCCOc1cc(OCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C26H34N6O6S/c1-5-9-36-18-11-19(37-10-7-6-8-27)13-20(12-18)38-24-15-23-22(31(3)26(33)32(23)4)14-21(24)29-39(34,35)25-16-30(2)17-28-25/h11-17,29H,5-10,27H2,1-4H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302617
PNG
((2S,3R,4R,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phe...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O)cc2)c1 |r|
Show InChI InChI=1S/C19H21ClO6/c1-25-19-17(24)15(22)16(23)18(26-19)11-4-7-14(20)12(9-11)8-10-2-5-13(21)6-3-10/h2-7,9,15-19,21-24H,8H2,1H3/t15-,16-,17+,18+,19?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150820
PNG
(CHEMBL3774933)
Show SMILES CCCOc1cc(OCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302616
PNG
((2S,3R,4R,5S)-2-(4-Chloro-3-(4-(2-hydroxyethoxy)be...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCO)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-27-21-19(26)17(24)18(25)20(29-21)13-4-7-16(22)14(11-13)10-12-2-5-15(6-3-12)28-9-8-23/h2-7,11,17-21,23-26H,8-10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152139
PNG
(CHEMBL3780307)
Show SMILES COc1cnc(N)nc1OCC(C)(C)CO
Show InChI InChI=1S/C10H17N3O3/c1-10(2,5-14)6-16-8-7(15-3)4-12-9(11)13-8/h4,14H,5-6H2,1-3H3,(H2,11,12,13)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152124
PNG
(CHEMBL3782004)
Show SMILES Nc1nc(NC2CC2)cc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150758
PNG
(CHEMBL3775901)
Show SMILES CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C28H38N6O6S/c1-5-11-38-20-13-21(39-12-9-7-6-8-10-29)15-22(14-20)40-26-17-25-24(33(3)28(35)34(25)4)16-23(26)31-41(36,37)27-18-32(2)19-30-27/h13-19,31H,5-12,29H2,1-4H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150822
PNG
(CHEMBL3775348)
Show SMILES CCCOc1cc(OCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C27H36N6O6S/c1-5-10-37-19-12-20(38-11-8-6-7-9-28)14-21(13-19)39-25-16-24-23(32(3)27(34)33(24)4)15-22(25)30-40(35,36)26-17-31(2)18-29-26/h12-18,30H,5-11,28H2,1-4H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150819
PNG
(CHEMBL3774542)
Show SMILES CCCOc1cc(OCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C29H36N4O8S/c1-6-11-39-19-13-20(40-12-7-10-30)15-21(14-19)41-27-18-25-24(32(2)29(34)33(25)3)17-23(27)31-42(35,36)22-8-9-26(37-4)28(16-22)38-5/h8-9,13-18,31H,6-7,10-12,30H2,1-5H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150756
PNG
(CHEMBL3774766)
Show SMILES CCCOc1cc(OCCCCCCN)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C32H42N4O8S/c1-6-14-42-22-16-23(43-15-10-8-7-9-13-33)18-24(17-22)44-30-21-28-27(35(2)32(37)36(28)3)20-26(30)34-45(38,39)25-11-12-29(40-4)31(19-25)41-5/h11-12,16-21,34H,6-10,13-15,33H2,1-5H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302615
PNG
((2S,3R,4R,5S)-2-{4-Chloro-3-[4-(2-methoxy-ethoxy)-...)
Show SMILES COCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H27ClO7/c1-27-9-10-29-16-6-3-13(4-7-16)11-15-12-14(5-8-17(15)23)21-19(25)18(24)20(26)22(28-2)30-21/h3-8,12,18-22,24-26H,9-11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302624
PNG
((2S,3R,4R,5S)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phen...)
Show SMILES CCOC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC)cc2)c1 |r|
Show InChI InChI=1S/C22H27ClO6/c1-3-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)23)21-19(25)18(24)20(26)22(29-21)28-4-2/h5-10,12,18-22,24-26H,3-4,11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152140
PNG
(CHEMBL3781296)
Show SMILES CC(C)(CO)COc1nc(N)ncc1Cl
Show InChI InChI=1S/C9H14ClN3O2/c1-9(2,4-14)5-15-7-6(10)3-12-8(11)13-7/h3,14H,4-5H2,1-2H3,(H2,11,12,13)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302623
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)-4-methylphenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6/c1-4-27-17-9-6-14(7-10-17)11-16-12-15(8-5-13(16)2)21-19(24)18(23)20(25)22(26-3)28-21/h5-10,12,18-25H,4,11H2,1-3H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302609
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OCCO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H27ClO7/c1-2-28-16-6-3-13(4-7-16)11-15-12-14(5-8-17(15)23)21-19(26)18(25)20(27)22(30-21)29-10-9-24/h3-8,12,18-22,24-27H,2,9-11H2,1H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302603
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C21H25ClO6/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(26-2)28-20/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302617
PNG
((2S,3R,4R,5S)-2-[4-Chloro-3-(4-hydroxy-benzyl)-phe...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O)cc2)c1 |r|
Show InChI InChI=1S/C19H21ClO6/c1-25-19-17(24)15(22)16(23)18(26-19)11-4-7-14(20)12(9-11)8-10-2-5-13(21)6-3-10/h2-7,9,15-19,21-24H,8H2,1H3/t15-,16-,17+,18+,19?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302625
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C23H29ClO6/c1-4-28-17-8-5-14(6-9-17)11-16-12-15(7-10-18(16)24)22-20(26)19(25)21(27)23(30-22)29-13(2)3/h5-10,12-13,19-23,25-27H,4,11H2,1-3H3/t19-,20-,21+,22+,23?/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302616
PNG
((2S,3R,4R,5S)-2-(4-Chloro-3-(4-(2-hydroxyethoxy)be...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCCO)cc2)c1 |r|
Show InChI InChI=1S/C21H25ClO7/c1-27-21-19(26)17(24)18(25)20(29-21)13-4-7-16(22)14(11-13)10-12-2-5-15(6-3-12)28-9-8-23/h2-7,11,17-21,23-26H,8-10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302609
PNG
((2S,3R,4R,5S)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OCCO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H27ClO7/c1-2-28-16-6-3-13(4-7-16)11-15-12-14(5-8-17(15)23)21-19(26)18(25)20(27)22(30-21)29-10-9-24/h3-8,12,18-22,24-27H,2,9-11H2,1H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150812
PNG
(CHEMBL3775853)
Show SMILES CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H29N3O7S/c1-6-12-35-17-8-7-9-18(13-17)36-24-16-22-21(28(2)26(30)29(22)3)15-20(24)27-37(31,32)19-10-11-23(33-4)25(14-19)34-5/h7-11,13-16,27H,6,12H2,1-5H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302615
PNG
((2S,3R,4R,5S)-2-{4-Chloro-3-[4-(2-methoxy-ethoxy)-...)
Show SMILES COCCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H27ClO7/c1-27-9-10-29-16-6-3-13(4-7-16)11-15-12-14(5-8-17(15)23)21-19(25)18(24)20(26)22(28-2)30-21/h3-8,12,18-22,24-26H,9-11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152143
PNG
(CHEMBL3781387)
Show SMILES CC(C)(C)COc1ccnc(N)n1
Show InChI InChI=1S/C9H15N3O/c1-9(2,3)6-13-7-4-5-11-8(10)12-7/h4-5H,6H2,1-3H3,(H2,10,11,12)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150811
PNG
(CHEMBL3775073)
Show SMILES CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)c(C)n2)c1
Show InChI InChI=1S/C23H27N5O5S/c1-6-10-32-16-8-7-9-17(11-16)33-21-13-20-19(27(4)23(29)28(20)5)12-18(21)25-34(30,31)22-14-26(3)15(2)24-22/h7-9,11-14,25H,6,10H2,1-5H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302623
PNG
((2S,3R,4R,5S)-2-(3-(4-Ethoxybenzyl)-4-methylphenyl...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2OC(OC)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C22H28O6/c1-4-27-17-9-6-14(7-10-17)11-16-12-15(8-5-13(16)2)21-19(24)18(23)20(25)22(26-3)28-21/h5-10,12,18-25H,4,11H2,1-3H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150808
PNG
(CHEMBL3774507)
Show SMILES CC(C)COc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)c(C)n2)c1
Show InChI InChI=1S/C24H29N5O5S/c1-15(2)14-33-17-8-7-9-18(10-17)34-22-12-21-20(28(5)24(30)29(21)6)11-19(22)26-35(31,32)23-13-27(4)16(3)25-23/h7-13,15,26H,14H2,1-6H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302619
PNG
(CHEMBL567572 | [2-Chloro-5-((2S,3R,4R,5S,6S)-3,4,5...)
Show SMILES CCOc1ccc(cc1)C(=O)c1cc(ccc1Cl)[C@@H]1O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H23ClO7/c1-3-28-13-7-4-11(5-8-13)16(23)14-10-12(6-9-15(14)22)20-18(25)17(24)19(26)21(27-2)29-20/h4-10,17-21,24-26H,3H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50302624
PNG
((2S,3R,4R,5S)-2-[4-Chloro-3-(4-ethoxy-benzyl)-phen...)
Show SMILES CCOC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(OCC)cc2)c1 |r|
Show InChI InChI=1S/C22H27ClO6/c1-3-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)23)21-19(25)18(24)20(26)22(29-21)28-4-2/h5-10,12,18-22,24-26H,3-4,11H2,1-2H3/t18-,19-,20+,21+,22?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as inhibition of [14C]alpha-methylglucopyranoside uptake


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302613
PNG
((2S,3R,4R,5S)-2-(4-Chloro-3-(4-(thiazol-2-yloxy)be...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(Oc3nccs3)cc2)c1 |r|
Show InChI InChI=1S/C22H22ClNO6S/c1-28-21-19(27)17(25)18(26)20(30-21)13-4-7-16(23)14(11-13)10-12-2-5-15(6-3-12)29-22-24-8-9-31-22/h2-9,11,17-21,25-27H,10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
Transcription intermediary factor 1-alpha


(Homo sapiens (Human))
BDBM50150757
PNG
(CHEMBL3774770)
Show SMILES CCCOc1cc(OCCCCCCO)cc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C28H37N5O7S/c1-5-11-38-20-13-21(39-12-9-7-6-8-10-34)15-22(14-20)40-26-17-25-24(32(3)28(35)33(25)4)16-23(26)30-41(36,37)27-18-31(2)19-29-27/h13-19,30,34H,5-12H2,1-4H3
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The University of Texas MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1440-54 (2016)


BindingDB Entry DOI: 10.7270/Q26975F4
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50152132
PNG
(CHEMBL3781861)
Show SMILES CC(C)(C)CNc1ccnc(N)n1
Show InChI InChI=1S/C9H16N4/c1-9(2,3)6-12-7-4-5-11-8(10)13-7/h4-5H,6H2,1-3H3,(H3,10,11,12,13)
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MD Anderson Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTH1 (unknown origin) assessed as hydrolysis of 8-oxodGTP to 8-oxodGMP and pyrophosphate by PPiLight assay


Bioorg Med Chem Lett 26: 1503-7 (2016)


BindingDB Entry DOI: 10.7270/Q20K2BF6
More data for this
Ligand-Target Pair
sodium-dependent glucose cotransporter 2 (SGLT2)


(Mus musculus (Mouse))
BDBM50302614
PNG
((2R,3S,4S,5R)-2-(4-Chloro-3-(4-((S)-1-methylpyrrol...)
Show SMILES COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(O[C@H]3CCN(C)C3)cc2)c1 |r|
Show InChI InChI=1S/C24H30ClNO6/c1-26-10-9-18(13-26)31-17-6-3-14(4-7-17)11-16-12-15(5-8-19(16)25)23-21(28)20(27)22(29)24(30-2)32-23/h3-8,12,18,20-24,27-29H,9-11,13H2,1-2H3/t18-,20+,21+,22-,23-,24?/m0/s1
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Princ

Curated by ChEMBL


Assay Description
Inhibition of mouse SGLT2-mediated [14C]alpha-methylglucopyranoside uptake by cell based assay


J Med Chem 52: 6201-4 (2009)


Article DOI: 10.1021/jm900951n
BindingDB Entry DOI: 10.7270/Q2F76DH1
More data for this
Ligand-Target Pair
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