Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'hanes' and Initial = 'jw'   

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
Thiamine-binding periplasmic protein (Escherichia coli (strain K12))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description the kd for ThOH, ThMP and ThDP were determined using titration experiments in which the change in the intrinsic protein fluorescence was monitored as...				Biochemistry 47: 1346-57 (2008) Article DOI: 10.1021/bi7018282 BindingDB Entry DOI: 10.7270/Q28C9TVF
					More data for this Ligand-Target Pair
Thiamine-binding periplasmic protein (Escherichia coli (strain K12))	BDBM92961 (ThMP) Show SMILES Cc1c(CCOP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description the kd for ThOH, ThMP and ThDP were determined using titration experiments in which the change in the intrinsic protein fluorescence was monitored as...				Biochemistry 47: 1346-57 (2008) Article DOI: 10.1021/bi7018282 BindingDB Entry DOI: 10.7270/Q28C9TVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA polymerase subunit gamma-1 (Homo sapiens (Human))	BDBM21687 (({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-p...) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1 Show InChI InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
The University of Texas Curated by ChEMBL					Assay Description Binding affinity to exonuclase deficient human recombinant DNA polymerase gamma E200A mutant				J Biol Chem 282: 25159-67 (2007) Article DOI: 10.1074/jbc.m703972200 BindingDB Entry DOI: 10.7270/Q2959MBG
					More data for this Ligand-Target Pair
DNA polymerase subunit gamma-1 (Homo sapiens (Human))	BDBM50478747 (Acyclovir triphosphate) Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H14N5O12P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-22-1-2-23-27(18,19)25-28(20,21)24-26(15,16)17/h3H,1-2,4H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,11,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
The University of Texas Curated by ChEMBL					Assay Description Binding affinity to exonuclase deficient human recombinant DNA polymerase gamma E200A mutant				J Biol Chem 282: 25159-67 (2007) Article DOI: 10.1074/jbc.m703972200 BindingDB Entry DOI: 10.7270/Q2959MBG
					More data for this Ligand-Target Pair
Thiamine-binding periplasmic protein (Escherichia coli (strain K12))	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a
Cornell University					Assay Description the kd for ThOH, ThMP and ThDP were determined using titration experiments in which the change in the intrinsic protein fluorescence was monitored as...				Biochemistry 47: 1346-57 (2008) Article DOI: 10.1021/bi7018282 BindingDB Entry DOI: 10.7270/Q28C9TVF
					More data for this Ligand-Target Pair