BDBM50204382 2-(benzyloxyamino)-N-hydroxyhexanamide::CHEMBL228230

SMILES: CCCCC(NOCc1ccccc1)C(=O)NO

InChI Key: InChIKey=MTXWGHZYBWXADO-UHFFFAOYSA-N

Data: 3 KI  8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50204382   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration method				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
Pseudolysin (Pseudomonas aeruginosa)	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa pseudolysin pretreated with compound for 1 hr followed by the addition of 1.73 uM bradykinin like substrate by s...				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP9 expressed in mouse myeloma cells				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 expressed in mouse myeloma cells				Bioorg Med Chem 15: 2298-311 (2007) Article DOI: 10.1016/j.bmc.2007.01.023 BindingDB Entry DOI: 10.7270/Q2VX0HBC
					More data for this Ligand-Target Pair
Pseudolysin (Pseudomonas aeruginosa)	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus pseudolysin pretreated with compound for 15 mins followed by the addition of Abz-Ala-Gly-leu-Ala-p-nitrobe...				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 after 2 hrs using FS-6 as substrate by fluorometry				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 after 2 hrs using FS-6 as substrate by fluorometry				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50204382 (2-(benzyloxyamino)-N-hydroxyhexanamide | CHEMBL228...) Show SMILES CCCCC(NOCc1ccccc1)C(=O)NO Show InChI InChI=1S/C13H20N2O3/c1-2-3-9-12(13(16)14-17)15-18-10-11-7-5-4-6-8-11/h4-8,12,15,17H,2-3,9-10H2,1H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of recombinant human ADAM17 after 30 mins using FS-6 as substrate by fluorometry				Eur J Med Chem 108: 141-53 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair