BindingDB PrimarySearch

BDBM50104501 (R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide::(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2-methyl-2-methyl-propyl)-amide::(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid (1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide::(R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid [1-((S)-dimethyl-carbamoyl)-2,2-dimethyl-propyl]-amide::2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE::BB-3497::CHEMBL431210

SMILES: CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C

InChI Key: InChIKey=AVDLWYHBABSSHC-CHWSQXEVSA-N

Data: 1 KI 12 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50104501
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibitory effect against E. coli peptide deformylase (PDF) by DPPI assay				J Med Chem 47: 4941-9 (2004) Article DOI: 10.1021/jm049592c BindingDB Entry DOI: 10.7270/Q2WD401S
The Ohio State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 Inhibitory activity against Escherichia coli peptide deformylase (PDF) Nickel containing enzyme				Bioorg Med Chem Lett 14: 59-62 (2003) BindingDB Entry DOI: 10.7270/Q2T43SHT
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Angiotensin I converting enzyme				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description The compound was evaluated in vitro for the inhibition of Neutral endopeptidase				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Peptide deformylase mitochondrial (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 Antibacterial activity of the compound against E. coli Peptide deformylase. Ni				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 Inhibition concentration against Escherichia coli peptide deformylase.				Bioorg Med Chem Lett 13: 2715-8 (2003) BindingDB Entry DOI: 10.7270/Q2VQ336P
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-7				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Peptide deformylase mitochondrial (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Peptide deformylase mitochondrial (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 Inhibition against Escherichia coli peptide deformylase				Bioorg Med Chem Lett 13: 2709-13 (2003) BindingDB Entry DOI: 10.7270/Q2XW4J6S
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition concentration against Escherichia coli peptide deformylase.				Bioorg Med Chem Lett 13: 2715-8 (2003) BindingDB Entry DOI: 10.7270/Q2VQ336P
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104501 ((R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic aci...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
British Biotech Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 2585-8 (2001) BindingDB Entry DOI: 10.7270/Q2SN0886
British Biotech Pharmaceuticals Limited Curated by ChEMBL					More data for this Ligand-Target Pair