BDBM30141 alpha-sulfone piperidine hydroxamate, 11d

SMILES: CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1

InChI Key: InChIKey=LJJFKNOMQHHBEW-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 = 30141   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM30141 (alpha-sulfone piperidine hydroxamate, 11d) Show SMILES CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C27H31N3O6S/c1-18(2)25(31)30-14-12-27(13-15-30,26(32)29-33)37(34,35)22-10-8-21(9-11-22)36-17-20-16-19(3)28-24-7-5-4-6-23(20)24/h4-11,16,18,33H,12-15,17H2,1-3H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem Lett 19: 3445-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.020 BindingDB Entry DOI: 10.7270/Q2GT5KHW
					More data for this Ligand-Target Pair