Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'massey' and Initial = 'f'   

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 (Staphylococcus aureus)	BDBM50444582 (CHEMBL3099715) Show SMILES OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F Show InChI InChI=1S/C13H11F3N6O/c14-13(15,16)9-5-10(18-3-4-23)20-12(19-9)11-7-1-2-17-6-8(7)21-22-11/h1-2,5-6,23H,3-4H2,(H,21,22)(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444581 (CHEMBL3099713) Show SMILES FC(F)(F)c1cccc(n1)-c1n[nH]c2cnccc12 Show InChI InChI=1S/C12H7F3N4/c13-12(14,15)10-3-1-2-8(17-10)11-7-4-5-16-6-9(7)18-19-11/h1-6H,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444580 (CHEMBL3099714) Show SMILES OCCNc1cc(nc(c1)C(F)(F)F)-c1n[nH]c2cnccc12 Show InChI InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA ligase (Staphylococcus aureus)	BDBM50444579 (CHEMBL3099712) Show SMILES FC(F)(F)c1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(14-6)7-12-4-13-15-7/h1-4H,(H,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444578 (CHEMBL3099706) Show SMILES Clc1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C7H5ClN4/c8-6-3-1-2-5(11-6)7-9-4-10-12-7/h1-4H,(H,9,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444577 (CHEMBL3099711) Show SMILES CC(F)(F)c1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C9H8F2N4/c1-9(10,11)7-4-2-3-6(14-7)8-12-5-13-15-8/h2-5H,1H3,(H,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444575 (CHEMBL3099710) Show SMILES C1CC(C1)c1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C11H12N4/c1-3-8(4-1)9-5-2-6-10(14-9)11-12-7-13-15-11/h2,5-8H,1,3-4H2,(H,12,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444574 (CHEMBL3099708) Show SMILES COc1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C8H8N4O/c1-13-7-4-2-3-6(11-7)8-9-5-10-12-8/h2-5H,1H3,(H,9,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444573 (CHEMBL3099709) Show SMILES Cc1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C8H8N4/c1-6-3-2-4-7(11-6)8-9-5-10-12-8/h2-5H,1H3,(H,9,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444572 (CHEMBL3099707) Show SMILES c1nnc([nH]1)-c1ccccn1 Show InChI InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444578 (CHEMBL3099706) Show SMILES Clc1cccc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C7H5ClN4/c8-6-3-1-2-5(11-6)7-9-4-10-12-7/h1-4H,(H,9,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444582 (CHEMBL3099715) Show SMILES OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F Show InChI InChI=1S/C13H11F3N6O/c14-13(15,16)9-5-10(18-3-4-23)20-12(19-9)11-7-1-2-17-6-8(7)21-22-11/h1-2,5-6,23H,3-4H2,(H,21,22)(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair
DNA ligase (Staphylococcus aureus)	BDBM50444576 (CHEMBL3099705) Show SMILES Clc1cncc(n1)-c1nnc[nH]1 Show InChI InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity to C-terminal 6xHis-tagged Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) by ITC assay				ACS Med Chem Lett 4: 1208-12 (2013) Article DOI: 10.1021/ml4003277 BindingDB Entry DOI: 10.7270/Q2J967V2
					More data for this Ligand-Target Pair