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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Collagenase' and Ligand = 'BDBM11870'   
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))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
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Article
PubMed
<0.100n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
PDB
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UniChem

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Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
PDB
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PC sid
UniChem

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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...


J Med Chem 48: 6713-30 (2005)


Article DOI: 10.1021/jm0500875
BindingDB Entry DOI: 10.7270/Q2N58JMZ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
PDB
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Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
PDB
MMDB

NCI pathway
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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11870
PNG
(4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair