Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50012667   

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, mitochondrial (Homo sapiens (Human))	BDBM50121445 ((S)-2-Mercaptomethyl-hexanoic acid [(S)-5-amino-1-...) Show SMILES CCCC[C@H](CS)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H30N4O4S/c1-2-3-6-14(13-28)18(24)22-17(7-4-5-12-20)19(25)21-15-8-10-16(11-9-15)23(26)27/h8-11,14,17,28H,2-7,12-13,20H2,1H3,(H,21,25)(H,22,24)/t14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Fe of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121442 (5-Guanidino-2-(2-mercaptomethyl-hexanoylamino)-pen...) Show SMILES CCCCC(CS)C(=O)NC(CCCNC(N)=N)C(=O)OC Show InChI InChI=1S/C14H28N4O3S/c1-3-4-6-10(9-22)12(19)18-11(13(20)21-2)7-5-8-17-14(15)16/h10-11,22H,3-9H2,1-2H3,(H,18,19)(H4,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121444 ((R)-2-Butyl-N*1*-((S)-1-dimethylcarbamoyl-2,2-dime...) Show SMILES CCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-11(10-12(20)18-23)14(21)17-13(16(2,3)4)15(22)19(5)6/h11,13,23H,7-10H2,1-6H3,(H,17,21)(H,18,20)/t11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121436 ((R)-2-Hydrazinocarbonylmethyl-hexanoic acid ((S)-1...) Show SMILES CCCC[C@H](CC(=O)NN)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H32N4O3/c1-7-8-9-11(10-12(21)19-17)14(22)18-13(16(2,3)4)15(23)20(5)6/h11,13H,7-10,17H2,1-6H3,(H,18,22)(H,19,21)/t11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121440 ((R)-3-((S)-1-Dimethylcarbamoyl-2,2-dimethyl-propyl...) Show SMILES CCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H30N2O4/c1-7-8-9-11(10-12(19)20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11,13H,7-10H2,1-6H3,(H,17,21)(H,19,20)/t11-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121439 ((2R)-2-{[(aminocarbonyl)(hydroxy)amino]methyl}-N-{...) Show SMILES CCCC[C@H](CN(O)C(N)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H32N4O4/c1-7-8-9-11(10-20(24)15(17)23)13(21)18-12(16(2,3)4)14(22)19(5)6/h11-12,24H,7-10H2,1-6H3,(H2,17,23)(H,18,21)/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121438 (CHEMBL120291 | [2-((S)-1-Dimethylcarbamoyl-2,2-dim...) Show SMILES CCCCC(CP(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C15H31N2O4P/c1-7-8-9-11(10-22(20)21)13(18)16-12(15(2,3)4)14(19)17(5)6/h11-12,22H,7-10H2,1-6H3,(H,16,18)(H,20,21)/t11?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121441 ((R)-2-(N-Hydroxycarbamimidoylmethyl)-hexanoic acid...) Show SMILES CCCCC(CC(=N)NO)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H32N4O3/c1-7-8-9-11(10-12(17)19-23)14(21)18-13(16(2,3)4)15(22)20(5)6/h11,13,23H,7-10H2,1-6H3,(H2,17,19)(H,18,21)/t11?,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121437 (CHEMBL422076 | [(S)-1-((S)-1-Dimethylcarbamoyl-2,2...) Show SMILES CCCC[C@H](NCC(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O4/c1-7-8-9-11(17-10-12(20)21)14(22)18-13(16(2,3)4)15(23)19(5)6/h11,13,17H,7-10H2,1-6H3,(H,18,22)(H,20,21)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121443 (CHEMBL120357 | [2-((S)-1-Dimethylcarbamoyl-2,2-dim...) Show SMILES CCCCC(CP(O)(O)=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C15H31N2O5P/c1-7-8-9-11(10-23(20,21)22)13(18)16-12(15(2,3)4)14(19)17(5)6/h11-12H,7-10H2,1-6H3,(H,16,18)(H2,20,21,22)/t11?,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50121446 ((R)-2-Formylaminomethyl-hexanoic acid ((S)-1-dimet...) Show SMILES CCCC[C@H](CNC=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C Show InChI InChI=1S/C16H31N3O3/c1-7-8-9-12(10-17-11-20)14(21)18-13(16(2,3)4)15(22)19(5)6/h11-13H,7-10H2,1-6H3,(H,17,20)(H,18,21)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of peptide deformylase, PDF.Ni of Escherichia coli				Bioorg Med Chem Lett 12: 3595-9 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G4H
					More data for this Ligand-Target Pair