Compile Data Set for Download or QSAR

Found 11 hits of affinity data for UniProtKB/TrEMBL: Q8DP79   

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 (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92766 (PDF inhibitor, compound 8) Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C26H31ClN8O3S/c1-18-6-2-4-8-21(18)28-24-29-25(34-12-10-33(11-13-34)22-9-5-3-7-20(22)27)31-26(30-24)35-17-39-16-19(35)14-38-15-23(36)32-37/h2-9,19,37H,10-17H2,1H3,(H,32,36)(H,28,29,30,31)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92761 (PDF inhibitor, compound 3) Show SMILES CNC(=O)[C@@H]1CSCN1c1nc(Nc2c(C)cccc2C(=O)NC)nc(n1)N1CCN(CC1)c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN9O2S/c1-17-7-6-8-18(23(38)29-2)22(17)31-25-32-26(34-27(33-25)37-16-40-15-21(37)24(39)30-3)36-13-11-35(12-14-36)20-10-5-4-9-19(20)28/h4-10,21H,11-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,32,33,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92764 (PDF inhibitor, compound 6) Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1COCC(=O)NO |r| Show InChI InChI=1S/C28H34ClN9O4S/c1-18-6-5-7-20(25(40)30-2)24(18)31-26-32-27(37-12-10-36(11-13-37)22-9-4-3-8-21(22)29)34-28(33-26)38-17-43-16-19(38)14-42-15-23(39)35-41/h3-9,19,41H,10-17H2,1-2H3,(H,30,40)(H,35,39)(H,31,32,33,34)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92760 (PDF inhibitor, compound 2) Show SMILES CNC(=O)c1cccc(C)c1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C28H33ClN10O4S/c1-17-6-5-7-18(24(41)30-2)23(17)32-26-33-27(38-12-10-37(11-13-38)20-9-4-3-8-19(20)29)35-28(34-26)39-16-44-15-21(39)25(42)31-14-22(40)36-43/h3-9,21,43H,10-16H2,1-2H3,(H,30,41)(H,31,42)(H,36,40)(H,32,33,34,35)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	334	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92765 (PDF inhibitor, compound 7) Show SMILES Cc1ccccc1Nc1nc(nc(n1)N1CCN(CC1)c1ccccc1Cl)N1CSC[C@H]1C(=O)NCC(=O)NO |r| Show InChI InChI=1S/C26H30ClN9O3S/c1-17-6-2-4-8-19(17)29-24-30-25(35-12-10-34(11-13-35)20-9-5-3-7-18(20)27)32-26(31-24)36-16-40-15-21(36)23(38)28-14-22(37)33-39/h2-9,21,39H,10-16H2,1H3,(H,28,38)(H,33,37)(H,29,30,31,32)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair				3D Structure (docked)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92759 (PDF inhibitor, compound 1) Show SMILES CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(n1)C(F)(F)F |r| Show InChI InChI=1S/C14H20F3N5O3/c1-2-3-4-5-10(8-22(25)9-23)12(24)20-21-13-18-7-6-11(19-13)14(15,16)17/h6-7,9-10,25H,2-5,8H2,1H3,(H,20,24)(H,18,19,21)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92762 (PDF inhibitor, compound 4) Show SMILES OC(CCNC(=O)c1cccc(Cl)c1Cl)C=O Show InChI InChI=1S/C11H11Cl2NO3/c12-9-3-1-2-8(10(9)13)11(17)14-5-4-7(16)6-15/h1-3,6-7,16H,4-5H2,(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	BDBM92763 (PDF inhibitor, compound 5) Show SMILES ON(CCOc1cccc(Cl)c1Cl)C=O Show InChI InChI=1S/C9H9Cl2NO3/c10-7-2-1-3-8(9(7)11)15-5-4-12(14)6-13/h1-3,6,14H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description Binding assay using PDF inhibitors.				Biochemistry 50: 6642-54 (2011) Article DOI: 10.1021/bi200655g BindingDB Entry DOI: 10.7270/Q2MS3RBV
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	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	PDB Article PubMed	n/a	n/a	400	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 (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.20E+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				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae (strain ATCC BAA-255 / R6...)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.90E+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				3D Structure (crystal)