Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'dudycz' and Initial = 'lw'   

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
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50225280 (CHEMBL3144215) Show SMILES CCCCc1ccc(NC2=NC(=O)C3N=CN([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)C3=N2)cc1 |r,c:14,39,t:9| Show InChI InChI=1S/C20H28N5O13P3/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(27)24-20)21-11-25(18)16-9-14(26)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-17,26H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H,22,24,27)(H2,28,29,30)/t14-,15+,16+,17?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025592 ((4-Butyl-phenyl)-(6-methylsulfanyl-9H-purin-2-yl)-...) Show SMILES CCCCc1ccc(Nc2nc(SC)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C16H19N5S/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025600 ((4-Butyl-phenyl)-(6-methoxy-9H-purin-2-yl)-amine |...) Show SMILES CCCCc1ccc(Nc2nc(OC)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C16H19N5O/c1-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(17-10-18-14)15(21-16)22-2/h6-10H,3-5H2,1-2H3,(H2,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025598 ((4-Butyl-phenyl)-(6-chloro-9H-purin-2-yl)-amine | ...) Show SMILES CCCCc1ccc(Nc2nc(Cl)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C15H16ClN5/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H2,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025597 ((4-Butyl-phenyl)-(9H-purin-2-yl)-amine | CHEMBL278...) Show SMILES CCCCc1ccc(Nc2ncc3[nH]cnc3n2)cc1 Show InChI InChI=1S/C15H17N5/c1-2-3-4-11-5-7-12(8-6-11)19-15-16-9-13-14(20-15)18-10-17-13/h5-10H,2-4H2,1H3,(H2,16,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50013074 (2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...) Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50013074 (2-(4-Butyl-phenylamino)-1,9-dihydro-purin-6-one | ...) Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H17N5O/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025593 (CHEMBL16122 | N*2*-(4-Butyl-phenyl)-9H-purine-2,6-...) Show SMILES CCCCc1ccc(Nc2nc(N)c3[nH]cnc3n2)cc1 Show InChI InChI=1S/C15H18N6/c1-2-3-4-10-5-7-11(8-6-10)19-15-20-13(16)12-14(21-15)18-9-17-12/h5-9H,2-4H2,1H3,(H4,16,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50405103 (CHEMBL2115349) Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50025595 (2-(4-Butyl-phenylamino)-1,9-dihydro-purine-6-thion...) Show SMILES CCCCc1ccc(Nc2nc3nc[nH]c3c(=S)[nH]2)cc1 Show InChI InChI=1S/C15H17N5S/c1-2-3-4-10-5-7-11(8-6-10)18-15-19-13-12(14(21)20-15)16-9-17-13/h5-9H,2-4H2,1H3,(H3,16,17,18,19,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50405103 (CHEMBL2115349) Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50405103 (CHEMBL2115349) Show SMILES CCCCc1ccc(Nc2nc3n(cnc3c(=O)[nH]2)[C@H]2C[C@H](O)[C@@H](CO)O2)cc1 |r| Show InChI InChI=1S/C20H25N5O4/c1-2-3-4-12-5-7-13(8-6-12)22-20-23-18-17(19(28)24-20)21-11-25(18)16-9-14(27)15(10-26)29-16/h5-8,11,14-16,26-27H,2-4,9-10H2,1H3,(H2,22,23,24,28)/t14-,15+,16+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against HeLa DNA polymerase alpha, Ki values were obtained in the absence of dGTP				J Med Chem 27: 175-81 (1984) BindingDB Entry DOI: 10.7270/Q2HH6KMT
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50013075 (2-(Indan-5-ylamino)-1,9-dihydro-purin-6-one | CHEM...) Show SMILES O=c1[nH]c(Nc2ccc3CCCc3c2)nc2nc[nH]c12 Show InChI InChI=1S/C14H13N5O/c20-13-11-12(16-7-15-11)18-14(19-13)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,15,16,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50013093 (2-(3-Ethyl-4-methyl-phenylamino)-1,9-dihydro-purin...) Show SMILES CCc1cc(Nc2nc3nc[nH]c3c(=O)[nH]2)ccc1C Show InChI InChI=1S/C14H15N5O/c1-3-9-6-10(5-4-8(9)2)17-14-18-12-11(13(20)19-14)15-7-16-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.76E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the concentration which gives half-maximal inhibition of Chinese Hamster Ovary DNA polymerase alpha				J Med Chem 30: 109-16 (1987) BindingDB Entry DOI: 10.7270/Q2ZG6R83
					More data for this Ligand-Target Pair