BDBM50103990 4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isobutyl-amino]-N-hydroxy-butyramide::CHEMBL316978

SMILES: CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1

InChI Key: InChIKey=KCKFHONGIZWYTN-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 = 50103990   

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))	BDBM50103990 (4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(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	4.30	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-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))	BDBM50103990 (4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(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	14	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))	BDBM50103990 (4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(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	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-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))	BDBM50103990 (4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(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	164	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))	BDBM50103990 (4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...) Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(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	15	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