BDBM50100809 2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N-hydroxypropanamide::CHEMBL450327::N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2-nitro-benzyl)-amino]-propionamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO

InChI Key: InChIKey=XVUIGVGFVWRFJO-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50100809   

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))	BDBM50100809 (2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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
Microbial collagenase (Clostridium perfringens)	BDBM50100809 (2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Western Australia Curated by ChEMBL					Assay Description Inhibitory activity against clostridium histolyticum collagenase				J Med Chem 44: 2253-8 (2001) BindingDB Entry DOI: 10.7270/Q2X066B7
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50100809 (2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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))	BDBM50100809 (2-(N-(2-nitrobenzyl)-4-methoxyphenylsulfonamido)-N...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)C(C)C(=O)NO Show InChI InChI=1S/C17H19N3O7S/c1-12(17(21)18-22)19(11-13-5-3-4-6-16(13)20(23)24)28(25,26)15-9-7-14(27-2)8-10-15/h3-10,12,22H,11H2,1-2H3,(H,18,21)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				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