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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM23501'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase 3


(Homo sapiens (Human))
BDBM23501
PNG
(BMCL193445 Compound 2d | beta-sulfonyl hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
Show InChI InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)16-22(19(25)23-27)11-13-24(14-12-22)20(26)31-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)
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Similars

Article
PubMed
n/an/a 135n/an/an/an/an/a25



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
Collagenase 3


(Homo sapiens (Human))
BDBM23501
PNG
(BMCL193445 Compound 2d | beta-sulfonyl hydroxamate...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
Show InChI InChI=1S/C22H30N2O7S/c1-5-6-15-30-17-7-9-18(10-8-17)32(28,29)16-22(19(25)23-27)11-13-24(14-12-22)20(26)31-21(2,3)4/h7-10,27H,11-16H2,1-4H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 135n/an/an/an/an/a25



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 15: 6170-81 (2007)


Article DOI: 10.1016/j.bmc.2007.06.031
BindingDB Entry DOI: 10.7270/Q2FJ2F3N
More data for this
Ligand-Target Pair