BDBM50103998 4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide::CHEMBL104722

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO

InChI Key: InChIKey=CQIQKDQFHVTTKM-UHFFFAOYSA-N

Data: 4 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 = 50103998   

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))	BDBM50103998 (4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50103998 (4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50103998 (4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	29	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
Collagenase 3 (Homo sapiens (Human))	BDBM50103998 (4-(4-Benzyloxy-benzylsulfanyl)-N-hydroxy-2-[isobut...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(OCc2ccccc2)cc1)C(=O)NO Show InChI InChI=1S/C29H36N2O6S2/c1-22(2)19-31(39(34,35)27-15-13-25(36-3)14-16-27)28(29(32)30-33)17-18-38-21-24-9-11-26(12-10-24)37-20-23-7-5-4-6-8-23/h4-16,22,28,33H,17-21H2,1-3H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	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-13				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair