BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'bleasdale' and Initial = 'c'   
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
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093336
PNG
(6-(Thiophen-2-yloxy)-9H-purin-2-ylamine | CHEMBL33...)
Show SMILES Nc1nc(Oc2cccs2)c2[nH]cnc2n1
Show InChI InChI=1S/C9H7N5OS/c10-9-13-7-6(11-4-12-7)8(14-9)15-5-2-1-3-16-5/h1-4H,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5491
PNG
(6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...)
Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
PubMed
n/an/a 58n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5491
PNG
(6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...)
Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
PubMed
n/an/a 180n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5484
PNG
(6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...)
Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5484
PNG
(6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...)
Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 390n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093328
PNG
(6-(Cyclobut-1-enylmethoxy)-9H-purin-2-ylamine | CH...)
Show SMILES Nc1nc(OCC2=CCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C10H11N5O/c11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-1-3-6/h2,5H,1,3-4H2,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 550n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5486
PNG
(6-(cyclohex-1-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h4,7H,1-3,5-6H2,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50241513
PNG
((R)-6-((4-(prop-1-en-2-yl)cyclohex-1-enyl)methoxy)...)
Show SMILES CC(=C)[C@@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |c:20|
Show InChI InChI=1S/C15H19N5O/c1-9(2)11-5-3-10(4-6-11)7-21-14-12-13(18-8-17-12)19-15(16)20-14/h3,8,11H,1,4-7H2,2H3,(H3,16,17,18,19,20)/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5475
PNG
(6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...)
Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells .


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5475
PNG
(6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...)
Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells .


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5475
PNG
(6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...)
Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5472
PNG
(6-(prop-2-yn-1-yloxy)-9H-purin-2-amine | CHEMBL270...)
Show SMILES Nc1nc(OCC#C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H7N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h1,4H,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5472
PNG
(6-(prop-2-yn-1-yloxy)-9H-purin-2-amine | CHEMBL270...)
Show SMILES Nc1nc(OCC#C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H7N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h1,4H,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5476
PNG
(6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells .


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5476
PNG
(6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells .


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5477
PNG
(6-(2-methylidenebutoxy)-9H-purin-2-amine | CHEMBL2...)
Show SMILES CCC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5H,2-4H2,1H3,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5472
PNG
(6-(prop-2-yn-1-yloxy)-9H-purin-2-amine | CHEMBL270...)
Show SMILES Nc1nc(OCC#C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H7N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h1,4H,3H2,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5476
PNG
(6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5479
PNG
(6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.75E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5479
PNG
(6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.96E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5479
PNG
(6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.70E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093325
PNG
(1-(2-Amino-9H-purin-6-yloxy)-butan-2-one | CHEMBL3...)
Show SMILES CCC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O2/c1-2-5(15)3-16-8-6-7(12-4-11-6)13-9(10)14-8/h4H,2-3H2,1H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.32E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093325
PNG
(1-(2-Amino-9H-purin-6-yloxy)-butan-2-one | CHEMBL3...)
Show SMILES CCC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O2/c1-2-5(15)3-16-8-6-7(12-4-11-6)13-9(10)14-8/h4H,2-3H2,1H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.45E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5481
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one | CHEMB...)
Show SMILES CC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H9N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5481
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one | CHEMB...)
Show SMILES CC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H9N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5464
PNG
(6-(heptyloxy)-9H-purin-2-amine | CHEMBL270945 | O6...)
Show SMILES CCCCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-18-11-9-10(15-8-14-9)16-12(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093325
PNG
(1-(2-Amino-9H-purin-6-yloxy)-butan-2-one | CHEMBL3...)
Show SMILES CCC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O2/c1-2-5(15)3-16-8-6-7(12-4-11-6)13-9(10)14-8/h4H,2-3H2,1H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.51E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5481
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one | CHEMB...)
Show SMILES CC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H9N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.92E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5470
PNG
(6-methoxy-9H-purin-2-amine | CHEMBL226395 | O6-Sub...)
Show SMILES COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 2.48E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in intact HT-29 human colorectal carcinoma cells


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5470
PNG
(6-methoxy-9H-purin-2-amine | CHEMBL226395 | O6-Sub...)
Show SMILES COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 4.28E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5462
PNG
(6-butoxy-9H-purin-2-amine | CHEMBL270946 | O6-Subs...)
Show SMILES CCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-15-8-6-7(12-5-11-6)13-9(10)14-8/h5H,2-4H2,1H3,(H3,10,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.93E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5496
PNG
(6-(2-phenylethoxy)-9H-purin-2-amine | CHEMBL446625...)
Show SMILES Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H13N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.48E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093343
PNG
(6-Hexyloxy-9H-purin-2-ylamine | CHEMBL338451)
Show SMILES CCCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H17N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h7H,2-6H2,1H3,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.54E+5n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5501
PNG
(6-(2,2-diethoxypropoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
Show InChI InChI=1S/C12H19N5O3/c1-4-19-12(3,20-5-2)6-18-10-8-9(15-7-14-8)16-11(13)17-10/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50241514
PNG
(6-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-9H-pur...)
Show SMILES CC1(C)OCC(COc2nc(N)nc3nc[nH]c23)O1
Show InChI InChI=1S/C11H15N5O3/c1-11(2)18-4-6(19-11)3-17-9-7-8(14-5-13-7)15-10(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5469
PNG
(6-(3-methylbutoxy)-9H-purin-2-amine | CHEMBL269872...)
Show SMILES CC(C)CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5502
PNG
(6-(2,2-dimethoxybutoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
Show InChI InChI=1S/C11H17N5O3/c1-4-11(17-2,18-3)5-19-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093331
PNG
(2-(2-Amino-9H-purin-6-yloxy)-1-phenyl-ethanone | C...)
Show SMILES Nc1nc(OCC(=O)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H11N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-6-9(19)8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,14,15,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093347
PNG
(6-Hex-3-enyloxy-9H-purin-2-ylamine | CHEMBL129960)
Show SMILES CC\C=C/CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h3-4,7H,2,5-6H2,1H3,(H3,12,13,14,15,16)/b4-3-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5485
PNG
(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5483
PNG
(6-(cyclopentylmethoxy)-9H-purin-2-amine | CHEMBL27...)
Show SMILES Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h6-7H,1-5H2,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093345
PNG
(6-(2,2-Dimethoxy-2-phenyl-ethoxy)-9H-purin-2-ylami...)
Show SMILES COC(COc1nc(N)nc2nc[nH]c12)(OC)c1ccccc1
Show InChI InChI=1S/C15H17N5O3/c1-21-15(22-2,10-6-4-3-5-7-10)8-23-13-11-12(18-9-17-11)19-14(16)20-13/h3-7,9H,8H2,1-2H3,(H3,16,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5487
PNG
(6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H3,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5461
PNG
(6-propoxy-9H-purin-2-amine | CHEMBL272692 | O6-Sub...)
Show SMILES CCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H11N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5471
PNG
(6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...)
Show SMILES CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM50093340
PNG
(6-Cyclobutylmethoxy-9H-purin-2-ylamine | CHEMBL133...)
Show SMILES Nc1nc(OCC2CCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C10H13N5O/c11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-1-3-6/h5-6H,1-4H2,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5478
PNG
(6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...)
Show SMILES CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-6(2)7(3)4-17-10-8-9(14-5-13-8)15-11(12)16-10/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5482
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]-3-methylbutan-2-one...)
Show SMILES CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))
BDBM5463
PNG
(6-(pentyloxy)-9H-purin-2-amine | CHEMBL406495 | O6...)
Show SMILES CCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-16-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.01E+6n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of AGT activity to 50% of control rate in HT-29 cell extract


J Med Chem 43: 4071-83 (2000)


BindingDB Entry DOI: 10.7270/Q2RF5T8B
More data for this
Ligand-Target Pair