Compile Data Set for Download or QSAR

Found 21 hits of affinity data for UniProtKB/TrEMBL: P0A6K3   

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
Peptide deformylase (Escherichia coli (strain K12))	BDBM50291695 (CHEMBL84822 | H-PHOSPHONATE DERIVATIVE) Show SMILES CCCC[C@H](OP(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H28N3O7P/c1-4-5-6-16(28-29(26)27)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16,29H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H,26,27)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Ohio State University Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Peptide deformylase				Bioorg Med Chem Lett 8: 2479-82 (1999) BindingDB Entry DOI: 10.7270/Q2HX1BTV
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50071663 (CHEMBL309477 | H-PHOSPHONATE DERIVATIVE) Show SMILES CCCCC(O[PH+](O)[O-])C(=O)NC(CC(C)C)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H28N3O7P/c1-4-5-6-16(28-29(26)27)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16,26,29H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity against Peptide deformylase				Bioorg Med Chem Lett 8: 2479-82 (1999) BindingDB Entry DOI: 10.7270/Q2HX1BTV
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100105 (2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N...) Show SMILES ONC(=O)CN1Cc2c(Br)cccc2NC1=O Show InChI InChI=1S/C10H10BrN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100101 (2-(5-Bromo-1-cyclopropylmethyl-2,2-dioxo-1,4-dihyd...) Show SMILES ONC(=O)CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O Show InChI InChI=1S/C13H16BrN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100094 (2-(5-Bromo-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-ben...) Show SMILES ONC(=O)CN1Cc2c(Br)cccc2NS1(=O)=O Show InChI InChI=1S/C9H10BrN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100102 (2-(5-Chloro-1-cyclopropylmethyl-2,2-dioxo-1,4-dihy...) Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(CC2CC2)S1(=O)=O Show InChI InChI=1S/C13H16ClN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100097 (2-(5-Chloro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...) Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NS1(=O)=O Show InChI InChI=1S/C9H10ClN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100096 (2-(2,2-Dioxo-5-trifluoromethyl-1,4-dihydro-2H-2lam...) Show SMILES ONC(=O)CN1Cc2c(NS1(=O)=O)cccc2C(F)(F)F Show InChI InChI=1S/C10H10F3N3O4S/c11-10(12,13)7-2-1-3-8-6(7)4-16(5-9(17)14-18)21(19,20)15-8/h1-3,15,18H,4-5H2,(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM21683 (N-hydroxy-N-(3-phenylpropyl)formamide | SB-485345) Show SMILES ON(CCCc1ccccc1)C=O Show InChI InChI=1S/C10H13NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description Enzyme assay was carried out in 96-well microtiter plates with a SpectraMax plate reader (Molecular Devices Corp.). PDF activity was measured using a...				Protein Sci 12: 349-60 (2003) Article DOI: 10.1110/ps.0229303 BindingDB Entry DOI: 10.7270/Q2F18X1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100107 (CHEMBL53345 | N-Hydroxy-2-(2-oxo-5-trifluoromethyl...) Show SMILES ONC(=O)CN1Cc2c(NC1=O)cccc2C(F)(F)F Show InChI InChI=1S/C11H10F3N3O3/c12-11(13,14)7-2-1-3-8-6(7)4-17(10(19)15-8)5-9(18)16-20/h1-3,20H,4-5H2,(H,15,19)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100108 (2-[5-Chloro-2,2-dioxo-1-(3-phenyl-propyl)-1,4-dihy...) Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O Show InChI InChI=1S/C18H20ClN3O4S/c19-16-9-4-10-17-15(16)12-21(13-18(23)20-24)27(25,26)22(17)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,24H,5,8,11-13H2,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100095 (2-(5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...) Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2NC1=O Show InChI InChI=1S/C10H10ClN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100100 (2-(1-Butyl-5-chloro-2,2-dioxo-1,4-dihydro-2H-2lamb...) Show SMILES CCCCN1c2cccc(Cl)c2CN(CC(=O)NO)S1(=O)=O Show InChI InChI=1S/C13H18ClN3O4S/c1-2-3-7-17-12-6-4-5-11(14)10(12)8-16(22(17,20)21)9-13(18)15-19/h4-6,19H,2-3,7-9H2,1H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100104 (2-(2,2-Dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6...) Show SMILES ONC(=O)CN1Cc2ccccc2NS1(=O)=O Show InChI InChI=1S/C9H11N3O4S/c13-9(10-14)6-12-5-7-3-1-2-4-8(7)11-17(12,15)16/h1-4,11,14H,5-6H2,(H,10,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100103 (2-(5-Fluoro-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-be...) Show SMILES ONC(=O)CN1Cc2c(F)cccc2NS1(=O)=O Show InChI InChI=1S/C9H10FN3O4S/c10-7-2-1-3-8-6(7)4-13(5-9(14)11-15)18(16,17)12-8/h1-3,12,15H,4-5H2,(H,11,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100099 (2-(5-Fluoro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-...) Show SMILES ONC(=O)CN1Cc2c(F)cccc2NC1=O Show InChI InChI=1S/C10H10FN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM21684 (N-[2-(3-benzoylphenoxy)ethyl]-N-hydroxyformamide |...) Show SMILES ON(CCOc1cccc(c1)C(=O)c1ccccc1)C=O Show InChI InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description Enzyme assay was carried out in 96-well microtiter plates with a SpectraMax plate reader (Molecular Devices Corp.). PDF activity was measured using a...				Protein Sci 12: 349-60 (2003) Article DOI: 10.1110/ps.0229303 BindingDB Entry DOI: 10.7270/Q2F18X1N
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100098 (CHEMBL54689 | N-Hydroxy-2-(2-oxo-1,4-dihydro-2H-qu...) Show SMILES ONC(=O)CN1Cc2ccccc2NC1=O Show InChI InChI=1S/C10H11N3O3/c14-9(12-16)6-13-5-7-3-1-2-4-8(7)11-10(13)15/h1-4,16H,5-6H2,(H,11,15)(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100106 (2-(1-Benzyl-5-chloro-2,2-dioxo-1,4-dihydro-2H-2lam...) Show SMILES ONC(=O)CN1Cc2c(Cl)cccc2N(Cc2ccccc2)S1(=O)=O Show InChI InChI=1S/C16H16ClN3O4S/c17-14-7-4-8-15-13(14)10-19(11-16(21)18-22)25(23,24)20(15)9-12-5-2-1-3-6-12/h1-8,22H,9-11H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM21685 (N-hydroxy-N-[3-(6-methylpyridin-2-yl)propyl]formam...) Show SMILES Cc1cccc(CCCN(O)C=O)n1 Show InChI InChI=1S/C10H14N2O2/c1-9-4-2-5-10(11-9)6-3-7-12(14)8-13/h2,4-5,8,14H,3,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.6	25
GSK					Assay Description Enzyme assay was carried out in 96-well microtiter plates with a SpectraMax plate reader (Molecular Devices Corp.). PDF activity was measured using a...				Protein Sci 12: 349-60 (2003) Article DOI: 10.1110/ps.0229303 BindingDB Entry DOI: 10.7270/Q2F18X1N
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100093 ((5-Chloro-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-ac...) Show SMILES NNC(=O)CN1Cc2c(Cl)cccc2NC1=O Show InChI InChI=1S/C10H11ClN4O2/c11-7-2-1-3-8-6(7)4-15(10(17)13-8)5-9(16)14-12/h1-3H,4-5,12H2,(H,13,17)(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair