BDBM50103996 4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-butyramide::CHEMBL102504

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO

InChI Key: InChIKey=MEVLEABHOAUFQW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50103996   

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))	BDBM50103996 (4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31)	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	0.200	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))	BDBM50103996 (4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31)	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	30	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))	BDBM50103996 (4-(4-Cyclohex-2-enyl-benzylsulfanyl)-N-hydroxy-2-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccc(cc1)C1CCCC=C1)C(=O)NO |c:33| Show InChI InChI=1S/C28H38N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h5,7,9-16,21,23,27,32H,4,6,8,17-20H2,1-3H3,(H,29,31)	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	20	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