Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'margison' and Initial = 'gp'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50106517 (6-(4-Bromo-thiophen-2-ylmethoxy)-9H-purin-2-ylamin...) Show SMILES Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 Show InChI InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068794 (6-(5-Bromo-thiophen-2-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Br)s1 |t:1| Show InChI InChI=1S/C10H10BrN5OS/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4,9H,3H2,(H,13,14)(H3,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068794 (6-(5-Bromo-thiophen-2-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Br)s1 |t:1| Show InChI InChI=1S/C10H10BrN5OS/c11-6-2-1-5(18-6)3-17-9-7-8(14-4-13-7)15-10(12)16-9/h1-2,4,9H,3H2,(H,13,14)(H3,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068792 (6-(Thiophen-2-ylmethoxy)-6,9-dihydro-1H-purin-2-yl...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccs1 |t:1| Show InChI InChI=1S/C10H11N5OS/c11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-1-3-17-6/h1-3,5,9H,4H2,(H,12,13)(H3,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068792 (6-(Thiophen-2-ylmethoxy)-6,9-dihydro-1H-purin-2-yl...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccs1 |t:1| Show InChI InChI=1S/C10H11N5OS/c11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-1-3-17-6/h1-3,5,9H,4H2,(H,12,13)(H3,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068785 (6-(Thiazol-5-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cncs1 |t:1| Show InChI InChI=1S/C9H10N6OS/c10-9-14-7-6(12-3-13-7)8(15-9)16-2-5-1-11-4-17-5/h1,3-4,8H,2H2,(H,12,13)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM5491 (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 Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068786 (6-(2-Chloro-pyridin-4-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccnc(Cl)c1 |t:1| Show InChI InChI=1S/C11H11ClN6O/c12-7-3-6(1-2-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068786 (6-(2-Chloro-pyridin-4-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccnc(Cl)c1 |t:1| Show InChI InChI=1S/C11H11ClN6O/c12-7-3-6(1-2-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068785 (6-(Thiazol-5-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cncs1 |t:1| Show InChI InChI=1S/C9H10N6OS/c10-9-14-7-6(12-3-13-7)8(15-9)16-2-5-1-11-4-17-5/h1,3-4,8H,2H2,(H,12,13)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068784 (6-(Isothiazol-4-ylmethoxy)-6,9-dihydro-1H-purin-2-...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnsc1 |t:1| Show InChI InChI=1S/C9H10N6OS/c10-9-14-7-6(11-4-12-7)8(15-9)16-2-5-1-13-17-3-5/h1,3-4,8H,2H2,(H,11,12)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068784 (6-(Isothiazol-4-ylmethoxy)-6,9-dihydro-1H-purin-2-...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnsc1 |t:1| Show InChI InChI=1S/C9H10N6OS/c10-9-14-7-6(11-4-12-7)8(15-9)16-2-5-1-13-17-3-5/h1,3-4,8H,2H2,(H,11,12)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068783 (6-(Furan-2-ylmethoxy)-6,9-dihydro-1H-purin-2-ylami...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccco1 |t:1| Show InChI InChI=1S/C10H11N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5,9H,4H2,(H,12,13)(H3,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068789 (6-([1,3]Dioxolo[4,5-b]pyridin-6-ylmethoxy)-6,9-dih...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnc2OCOc2c1 |t:1| Show InChI InChI=1S/C12H12N6O3/c13-12-17-9-8(15-4-16-9)11(18-12)19-3-6-1-7-10(14-2-6)21-5-20-7/h1-2,4,11H,3,5H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM5491 (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 Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068793 (6-(6-Chloro-pyridin-3-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C11H11ClN6O/c12-7-2-1-6(3-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068783 (6-(Furan-2-ylmethoxy)-6,9-dihydro-1H-purin-2-ylami...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccco1 |t:1| Show InChI InChI=1S/C10H11N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5,9H,4H2,(H,12,13)(H3,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068780 (6-(Pyridin-4-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccncc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-1-3-13-4-2-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068780 (6-(Pyridin-4-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccncc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-1-3-13-4-2-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068793 (6-(6-Chloro-pyridin-3-ylmethoxy)-6,9-dihydro-1H-pu...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C11H11ClN6O/c12-7-2-1-6(3-14-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068788 (6-(5-Bromo-pyridin-3-ylmethoxy)-6,9-dihydro-1H-pur...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cncc(Br)c1 |t:1| Show InChI InChI=1S/C11H11BrN6O/c12-7-1-6(2-14-3-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068781 (6-(Oxazol-5-ylmethoxy)-6,9-dihydro-1H-purin-2-ylam...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnco1 |t:1| Show InChI InChI=1S/C9H10N6O2/c10-9-14-7-6(12-3-13-7)8(15-9)16-2-5-1-11-4-17-5/h1,3-4,8H,2H2,(H,12,13)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068791 (6-(Pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068789 (6-([1,3]Dioxolo[4,5-b]pyridin-6-ylmethoxy)-6,9-dih...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnc2OCOc2c1 |t:1| Show InChI InChI=1S/C12H12N6O3/c13-12-17-9-8(15-4-16-9)11(18-12)19-3-6-1-7-10(14-2-6)21-5-20-7/h1-2,4,11H,3,5H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068788 (6-(5-Bromo-pyridin-3-ylmethoxy)-6,9-dihydro-1H-pur...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cncc(Br)c1 |t:1| Show InChI InChI=1S/C11H11BrN6O/c12-7-1-6(2-14-3-7)4-19-10-8-9(16-5-15-8)17-11(13)18-10/h1-3,5,10H,4H2,(H,15,16)(H3,13,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338477 (6-((4-bromothiophen-2-yl)methoxy)-5-nitropyrimidin...) Show SMILES Nc1nc(N)c(c(OCc2cc(Br)cs2)n1)[N+]([O-])=O Show InChI InChI=1S/C9H8BrN5O3S/c10-4-1-5(19-3-4)2-18-8-6(15(16)17)7(11)13-9(12)14-8/h1,3H,2H2,(H4,11,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068781 (6-(Oxazol-5-ylmethoxy)-6,9-dihydro-1H-purin-2-ylam...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cnco1 |t:1| Show InChI InChI=1S/C9H10N6O2/c10-9-14-7-6(12-3-13-7)8(15-9)16-2-5-1-11-4-17-5/h1,3-4,8H,2H2,(H,12,13)(H3,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068791 (6-(Pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1cccnc1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338478 (2-Amino-4-(4-bromothenyloxy)-6-morpholino-5-nitrop...) Show SMILES Nc1nc(OCc2cc(Br)cs2)c(c(n1)N1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C13H14BrN5O4S/c14-8-5-9(24-7-8)6-23-12-10(19(20)21)11(16-13(15)17-12)18-1-3-22-4-2-18/h5,7H,1-4,6H2,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068790 (6-(1-Oxy-pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc[n+]([O-])c1 |t:1| Show InChI InChI=1S/C11H12N6O2/c12-11-15-9-8(13-6-14-9)10(16-11)19-5-7-2-1-3-17(18)4-7/h1-4,6,10H,5H2,(H,13,14)(H3,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338481 (2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminopheny...) Show SMILES Nc1ccc(Nc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C21H18BrN7O3S/c22-12-9-17(33-11-12)10-32-20-18(29(30)31)19(27-21(24)28-20)26-16-7-5-15(6-8-16)25-14-3-1-13(23)2-4-14/h1-9,11,25H,10,23H2,(H3,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068790 (6-(1-Oxy-pyridin-3-ylmethoxy)-6,9-dihydro-1H-purin...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccc[n+]([O-])c1 |t:1| Show InChI InChI=1S/C11H12N6O2/c12-11-15-9-8(13-6-14-9)10(16-11)19-5-7-2-1-3-17(18)4-7/h1-4,6,10H,5H2,(H,13,14)(H3,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338483 (2-Amino-4-(4-bromothenyloxy)-6-[N-(4,4'-aminobenzo...) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(Nc2nc(N)nc(OCc3cc(Br)cs3)c2[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H17BrN6O4S/c23-14-9-17(34-11-14)10-33-21-18(29(31)32)20(27-22(25)28-21)26-16-7-3-13(4-8-16)19(30)12-1-5-15(24)6-2-12/h1-9,11H,10,24H2,(H3,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068782 (6-(Pyridin-2-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccccn1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068787 (6-(3-Methyl-3H-imidazol-4-ylmethoxy)-6,9-dihydro-1...) Show SMILES Cn1cncc1COC1NC(N)=Nc2nc[nH]c12 |c:12| Show InChI InChI=1S/C10H13N7O/c1-17-5-12-2-6(17)3-18-9-7-8(14-4-13-7)15-10(11)16-9/h2,4-5,9H,3H2,1H3,(H,13,14)(H3,11,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338482 (2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminopheno...) Show SMILES Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C21H17BrN6O4S/c22-12-9-17(33-11-12)10-31-20-18(28(29)30)19(26-21(24)27-20)25-14-3-7-16(8-4-14)32-15-5-1-13(23)2-6-15/h1-9,11H,10,23H2,(H3,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338479 (2-Amino-4-benzyloxy-6-morpholino-5-nitropyrimidine...) Show SMILES Nc1nc(OCc2ccccc2)c(c(n1)N1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C15H17N5O4/c16-15-17-13(19-6-8-23-9-7-19)12(20(21)22)14(18-15)24-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338480 (2-Amino-4-(4-bromothenyloxy)-6-[N-(4-(4-aminobenzy...) Show SMILES Nc1ccc(Cc2ccc(Nc3nc(N)nc(OCc4cc(Br)cs4)c3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C22H19BrN6O3S/c23-15-10-18(33-12-15)11-32-21-19(29(30)31)20(27-22(25)28-21)26-17-7-3-14(4-8-17)9-13-1-5-16(24)6-2-13/h1-8,10,12H,9,11,24H2,(H3,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068787 (6-(3-Methyl-3H-imidazol-4-ylmethoxy)-6,9-dihydro-1...) Show SMILES Cn1cncc1COC1NC(N)=Nc2nc[nH]c12 |c:12| Show InChI InChI=1S/C10H13N7O/c1-17-5-12-2-6(17)3-18-9-7-8(14-4-13-7)15-10(11)16-9/h2,4-5,9H,3H2,1H3,(H,13,14)(H3,11,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase ac...				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50068782 (6-(Pyridin-2-ylmethoxy)-6,9-dihydro-1H-purin-2-yla...) Show SMILES NC1=Nc2nc[nH]c2C(N1)OCc1ccccn1 |t:1| Show InChI InChI=1S/C11H12N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6,10H,5H2,(H,14,15)(H3,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)				J Med Chem 41: 5265-71 (1999) Article DOI: 10.1021/jm9708644 BindingDB Entry DOI: 10.7270/Q2DJ5G9K
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338484 (2-Amino-4-benzyloxy-6-[N-(4-(4-aminophenoxy)anilin...) Show SMILES Nc1ccc(Oc2ccc(Nc3nc(N)nc(OCc4ccccc4)c3[N+]([O-])=O)cc2)cc1 Show InChI InChI=1S/C23H20N6O4/c24-16-6-10-18(11-7-16)33-19-12-8-17(9-13-19)26-21-20(29(30)31)22(28-23(25)27-21)32-14-15-4-2-1-3-5-15/h1-13H,14,24H2,(H3,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair
Methylated-DNA--protein-cysteine methyltransferase (Homo sapiens (Human))	BDBM50338485 (2-Amino-4-benzyloxy-6-[N-(4,4'-diaminobenzophenone...) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(Nc2nc(N)nc(OCc3ccccc3)c2[N+]([O-])=O)cc1 Show InChI InChI=1S/C24H20N6O4/c25-18-10-6-16(7-11-18)21(31)17-8-12-19(13-9-17)27-22-20(30(32)33)23(29-24(26)28-22)34-14-15-4-2-1-3-5-15/h1-13H,14,25H2,(H3,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]methylated protein formation by liquid scintillation counting in presen...				Bioorg Med Chem 19: 1658-65 (2011) Article DOI: 10.1016/j.bmc.2011.01.038 BindingDB Entry DOI: 10.7270/Q2P55NT2
					More data for this Ligand-Target Pair