BDBM50103997 CHEMBL104021::N-Hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-4-phenylmethanesulfonyl-butyramide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=NKRKWSFHPLAZOP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50103997   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50103997 (CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50103997 (CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50103997 (CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)	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	396	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-1				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50103997 (CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-2				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50103997 (CHEMBL104021 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCS(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O7S2/c1-17(2)15-24(33(29,30)20-11-9-19(31-3)10-12-20)21(22(25)23-26)13-14-32(27,28)16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-13				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair