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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM50343080'   
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


(Homo sapiens (Human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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0.660n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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Article
PubMed
410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair