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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'hsiao' and Initial = 'cl'   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 8n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 23n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 47n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096479
PNG
(5-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C18H16BrN3O5S2/c1-27-13-4-6-14(7-5-13)29(25,26)22(10-12-3-2-8-20-9-12)16-15(18(23)21-24)11-28-17(16)19/h2-9,11,24H,10H2,1H3,(H,21,23)
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n/an/a 70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096482
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-4-met...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)csc1C(=O)NO
Show InChI InChI=1S/C20H20N2O5S2/c1-14-13-28-19(20(23)21-24)18(14)22(12-15-6-4-3-5-7-15)29(25,26)17-10-8-16(27-2)9-11-17/h3-11,13,24H,12H2,1-2H3,(H,21,23)
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n/an/a 104n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 138n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096463
PNG
(CHEMBL70176 | N-Hydroxy-2-[(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cccc1C(=O)NO
Show InChI InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25)
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n/an/a 143n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 174n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 181n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 233n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 236n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096479
PNG
(5-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C18H16BrN3O5S2/c1-27-13-4-6-14(7-5-13)29(25,26)22(10-12-3-2-8-20-9-12)16-15(18(23)21-24)11-28-17(16)19/h2-9,11,24H,10H2,1H3,(H,21,23)
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n/an/a 290n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50366762
PNG
(CHEMBL1169492)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCCC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20+/m1/s1
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n/an/a 291n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 294n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50366762
PNG
(CHEMBL1169492)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCCC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20+/m1/s1
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n/an/a 318n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50366762
PNG
(CHEMBL1169492)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H]1CCCC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20+/m1/s1
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n/an/a 361n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 427n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096474
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)cccc1C(=O)NO
Show InChI InChI=1S/C22H22N2O6S/c1-29-17-11-13-18(14-12-17)31(27,28)24(15-16-7-4-3-5-8-16)21-19(22(25)23-26)9-6-10-20(21)30-2/h3-14,26H,15H2,1-2H3,(H,23,25)
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n/an/a 520n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096464
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxyb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NO
Show InChI InChI=1S/C21H20N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-14,25H,15H2,1H3,(H,22,24)
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n/an/a 555n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 639n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096481
PNG
(5-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-1-met...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cnn1C)C(=O)NO
Show InChI InChI=1S/C19H20N4O5S/c1-22-19(17(12-20-22)18(24)21-25)23(13-14-6-4-3-5-7-14)29(26,27)16-10-8-15(28-2)9-11-16/h3-12,25H,13H2,1-2H3,(H,21,24)
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n/an/a 900n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 239-42 (2001)


BindingDB Entry DOI: 10.7270/Q2PR7WHJ
More data for this
Ligand-Target Pair