BDBM8466 (2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3-methylbutanamide::CHEMBL114272::hydroxamate analogue 2

SMILES: COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO

InChI Key: InChIKey=SUEBJDNLBVTIQP-LLVKDONJSA-N

Data: 2 KI  3 IC50  2 Kd

PDB links: 5 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 7 hits for monomerid = 8466   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human matrix metalloprotease-1 (MMP-1)				Bioorg Med Chem Lett 14: 3389-95 (2004) Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-13 (MMP-13)				Bioorg Med Chem Lett 14: 3389-95 (2004) Article DOI: 10.1016/j.bmcl.2004.04.083 BindingDB Entry DOI: 10.7270/Q25Q4WPN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry				Bioorg Med Chem Lett 20: 280-2 (2010) Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Binding affinity to stromelysin-1 catalytic domain				Bioorg Med Chem Lett 20: 280-2 (2010) Article DOI: 10.1016/j.bmcl.2009.10.114 BindingDB Entry DOI: 10.7270/Q20V8DQN
					More data for this Ligand-Target Pair
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.0	22
Merck Research Laboratories					Assay Description The assay was performed in a 96-well plate, each well contained substrate peptide, LF, and the test compound. The C-terminally fluorophore of substra...				Bioorg Med Chem Lett 16: 964-8 (2006) Article DOI: 10.1016/j.bmcl.2005.10.088 BindingDB Entry DOI: 10.7270/Q2K35RV4
					More data for this Ligand-Target Pair