Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'ellenberger' and Initial = 't'   

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 ligase 1 (Homo sapiens (Human))	BDBM22826 (2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid ...) Show SMILES OC(=O)c1cccc2C(=O)C(=O)Nc12 Show InChI InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,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	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 using nicked DNA substrate by kinetic assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262041 (5-(((5-carboxy-2-methylfuran-3-yl)methylthio)methy...) Show SMILES Cc1oc(cc1CSCc1cc(C(O)=O)c(C)o1)C(O)=O Show InChI InChI=1S/C14H14O6S/c1-7-9(3-12(20-7)14(17)18)5-21-6-10-4-11(13(15)16)8(2)19-10/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262039 (3-amino-2-(benzylideneamino)-5-mercaptophenol | CH...) Show SMILES Nc1cc(S)cc(O)c1\N=C\c1ccccc1 Show InChI InChI=1S/C13H12N2OS/c14-11-6-10(17)7-12(16)13(11)15-8-9-4-2-1-3-5-9/h1-8,16-17H,14H2/b15-8+	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM22826 (2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid ...) Show SMILES OC(=O)c1cccc2C(=O)C(=O)Nc12 Show InChI InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,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	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50261995 (CHEMBL467192 | N'-(2-hydroxy-5-nitrobenzylidene)-2...) Show SMILES Cc1c(Br)cc(NCC(=O)N\N=C/c2cc(ccc2O)[N+]([O-])=O)cc1Br Show InChI InChI=1S/C16H14Br2N4O4/c1-9-13(17)5-11(6-14(9)18)19-8-16(24)21-20-7-10-4-12(22(25)26)2-3-15(10)23/h2-7,19,23H,8H2,1H3,(H,21,24)/b20-7-	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262038 (3-(4-Bromo-benzenesulfonyl)-N-[2-(4-sulfamoyl-phen...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H19BrN2O5S2/c18-14-3-7-15(8-4-14)26(22,23)12-10-17(21)20-11-9-13-1-5-16(6-2-13)27(19,24)25/h1-8H,9-12H2,(H,20,21)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50261993 (5-(methylthio)thiophene-2-carboxylic acid | CHEMBL...) Show SMILES CSc1ccc(s1)C(O)=O Show InChI InChI=1S/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262037 (5-(2-(4-hydroxy-3-nitrobenzylidene)hydrazinyl)-4-c...) Show SMILES Oc1ccc(CN=Nc2cn[nH]c(=O)c2Cl)cc1[N+]([O-])=O |w:6.5| Show InChI InChI=1S/C11H8ClN5O4/c12-10-7(5-14-16-11(10)19)15-13-4-6-1-2-9(18)8(3-6)17(20)21/h1-3,5,18H,4H2,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50261994 (2-(7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-ylth...) Show SMILES OC(=O)CSc1cc(Cl)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C8H4ClN3O5S/c9-3-1-4(18-2-5(13)14)8(12(15)16)7-6(3)10-17-11-7/h1H,2H2,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262040 (7-(4-methoxyphenyl)pteridine-2,4-diol | CHEMBL5112...) Show SMILES COc1ccc(cc1)-c1cnc2c(n1)[nH]c(=O)[nH]c2=O Show InChI InChI=1S/C13H10N4O3/c1-20-8-4-2-7(3-5-8)9-6-14-10-11(15-9)16-13(19)17-12(10)18/h2-6H,1H3,(H2,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM50262042 ((2-hydroxyphenyl)(4-hydroxyphenyl)methanone | CHEM...) Show SMILES Oc1ccc(cc1)C(=O)c1ccccc1O Show InChI InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Inhibition of human recombinant DNA ligase 1 by radioactive gel-based ligation assay				J Med Chem 51: 4553-62 (2008) Article DOI: 10.1021/jm8001668 BindingDB Entry DOI: 10.7270/Q2639PJC
					More data for this Ligand-Target Pair