Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50036691   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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