Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50013630   

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))	BDBM50089194 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound towards Peptide deformylase				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50089194 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132676 (2-[3-Butyl-3H-benzothiazol-(2Z)-ylidene]-N-hydroxy...) Show SMILES CCCCN1\C(Sc2ccccc12)=C\C(=O)NO Show InChI InChI=1S/C13H16N2O2S/c1-2-3-8-15-10-6-4-5-7-11(10)18-13(15)9-12(16)14-17/h4-7,9,17H,2-3,8H2,1H3,(H,14,16)/b13-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132672 (CHEMBL419929 | N-Hydroxy-2-[3-propyl-3H-benzothiaz...) Show SMILES CCCN1\C(Sc2ccccc12)=C\C(=O)NO Show InChI InChI=1S/C12H14N2O2S/c1-2-7-14-9-5-3-4-6-10(9)17-12(14)8-11(15)13-16/h3-6,8,16H,2,7H2,1H3,(H,13,15)/b12-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132675 (CHEMBL331367 | N-Hydroxy-2-[3-pentyl-3H-benzothiaz...) Show SMILES CCCCCN1\C(Sc2ccccc12)=C\C(=O)NO Show InChI InChI=1S/C14H18N2O2S/c1-2-3-6-9-16-11-7-4-5-8-12(11)19-14(16)10-13(17)15-18/h4-5,7-8,10,18H,2-3,6,9H2,1H3,(H,15,17)/b14-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132674 (2-[3-Butyl-1,1-dioxo-1,3-dihydro-1lambda*6*-benzot...) Show SMILES CCCCN1\C(=C\C(=O)NO)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C13H16N2O4S/c1-2-3-8-15-10-6-4-5-7-11(10)20(18,19)13(15)9-12(16)14-17/h4-7,9,17H,2-3,8H2,1H3,(H,14,16)/b13-9-	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132671 (CHEMBL113143 | [3-Butyl-3H-benzothiazol-(2Z)-ylide...) Show SMILES CCCCN1\C(Sc2ccccc12)=C\C(O)=O Show InChI InChI=1S/C13H15NO2S/c1-2-3-8-14-10-6-4-5-7-11(10)17-12(14)9-13(15)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)/b12-9-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair
Peptide deformylase, mitochondrial (Homo sapiens (Human))	BDBM50132673 (2-[3-Ethyl-3H-benzothiazol-(2Z)-ylidene]-N-hydroxy...) Show SMILES CCN1\C(Sc2ccccc12)=C\C(=O)NO Show InChI InChI=1S/C11H12N2O2S/c1-2-13-8-5-3-4-6-9(8)16-11(13)7-10(14)12-15/h3-7,15H,2H2,1H3,(H,12,14)/b11-7-	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+5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory concentration required against peptide deformylase (PDF)				Bioorg Med Chem Lett 13: 3273-6 (2003) BindingDB Entry DOI: 10.7270/Q2FN15MQ
					More data for this Ligand-Target Pair