BDBM50104006 4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide::CHEMBL320402

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO

InChI Key: InChIKey=TWQZYQBXMVVVCY-OAQYLSRUSA-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 = 50104006   

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))	BDBM50104006 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-9				J Med Chem 44: 3074-82 (2001) BindingDB Entry DOI: 10.7270/Q2416WBQ
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50104006 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1	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	104	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of human matrix metalloprotease-1				J Med Chem 44: 3074-82 (2001) BindingDB Entry DOI: 10.7270/Q2416WBQ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50104006 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1	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 Inhibition of matrix metalloprotease-13				J Med Chem 44: 3074-82 (2001) BindingDB Entry DOI: 10.7270/Q2416WBQ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104006 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-2				J Med Chem 44: 3074-82 (2001) BindingDB Entry DOI: 10.7270/Q2416WBQ
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50104006 (4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-3				J Med Chem 44: 3074-82 (2001) BindingDB Entry DOI: 10.7270/Q2416WBQ
					More data for this Ligand-Target Pair