BDBM50104002 4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide::CHEMBL102785

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO

InChI Key: InChIKey=PECNGMJVFOGIBW-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 = 50104002   

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))	BDBM50104002 (4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)	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
Collagenase 3 (Homo sapiens (Human))	BDBM50104002 (4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)	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	0.800	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50104002 (4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)	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	1	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50104002 (4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)	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	16	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50104002 (4-Benzylsulfanyl-2-[cyclohexylcarbamoylmethyl-(4-m...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CCCCC1)C(CCSCc1ccccc1)C(=O)NO Show InChI InChI=1S/C26H35N3O6S2/c1-35-22-12-14-23(15-13-22)37(33,34)29(18-25(30)27-21-10-6-3-7-11-21)24(26(31)28-32)16-17-36-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21,24,32H,3,6-7,10-11,16-19H2,1H3,(H,27,30)(H,28,31)	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	1.60	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