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Compile Data Set for Download or QSAR

Found 655 hits with Last Name = 'zhang' and Initial = 'ym'   
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))
BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185896
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-tr...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H18F3NO5S/c28-27(29,30)36-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)37-23(26(34)35)15-16-31-24(32)21-3-1-2-4-22(21)25(31)33/h1-4,7-14,23H,15-16H2,(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185883
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)34(32,33)21(22(28)26-31)13-14-27-23(29)19-3-1-2-4-20(19)24(27)30/h1-12,21,31H,13-14H2,(H,26,28)
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n/an/a 0.620n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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n/an/a 0.700n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185900
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S2/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.740n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185888
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-et...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO4S/c1-2-19-7-9-20(10-8-19)11-12-21-13-15-22(16-14-21)34-25(28(32)33)17-18-29-26(30)23-5-3-4-6-24(23)27(29)31/h3-10,13-16,25H,2,17-18H2,1H3,(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185875
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO7S/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.840n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374486
PNG
(CHEMBL408366)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)N(C)c2cccn(O)c2=O)cc1
Show InChI InChI=1S/C19H18N2O6S/c1-20(18-4-3-13-21(23)19(18)22)28(24,25)17-11-9-16(10-12-17)27-15-7-5-14(26-2)6-8-15/h3-13,23H,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185900
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S2/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 0.960n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185880
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-isop...)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H25NO6S/c1-17(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)35(33,34)24(27(31)32)15-16-28-25(29)22-5-3-4-6-23(22)26(28)30/h3-14,17,24H,15-16H2,1-2H3,(H,31,32)
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n/an/a 0.980n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a 1n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...


Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1n/an/an/an/a7.523



GlaxoSmithKline



Assay Description
Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...


Bioorg Med Chem Lett 14: 111-4 (2004)


Article DOI: 10.1016/j.jmb.2007.01.004
BindingDB Entry DOI: 10.7270/Q2HQ3X4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50185890
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-pr...)
Show SMILES CCCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C29H25NO4S/c1-2-5-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)35-26(29(33)34)18-19-30-27(31)24-6-3-4-7-25(24)28(30)32/h3-4,6-11,14-17,26H,2,5,18-19H2,1H3,(H,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185899
PNG
(2-[4-(4-chloro-phenylethynyl)-phenylsulfanyl]-4-(1...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H18ClNO4S/c27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)33-23(26(31)32)15-16-28-24(29)21-3-1-2-4-22(21)25(28)30/h1-4,7-14,23H,15-16H2,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185877
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)33(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185896
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-tr...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H18F3NO5S/c28-27(29,30)36-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)37-23(26(34)35)15-16-31-24(32)21-3-1-2-4-22(21)25(31)33/h1-4,7-14,23H,15-16H2,(H,34,35)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185888
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-et...)
Show SMILES CCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C28H23NO4S/c1-2-19-7-9-20(10-8-19)11-12-21-13-15-22(16-14-21)34-25(28(32)33)17-18-29-26(30)23-5-3-4-6-24(23)27(29)31/h3-10,13-16,25H,2,17-18H2,1H3,(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185884
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO6S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)35(33,34)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185883
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)34(32,33)21(22(28)26-31)13-14-27-23(29)19-3-1-2-4-20(19)24(27)30/h1-12,21,31H,13-14H2,(H,26,28)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185887
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO5S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)34(33)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185887
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4-p-tol...)
Show SMILES Cc1ccc(cc1)C#Cc1ccc(cc1)S(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H21NO5S/c1-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)34(33)24(27(31)32)16-17-28-25(29)22-4-2-3-5-23(22)26(28)30/h2-9,12-15,24H,16-17H2,1H3,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185880
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-isop...)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C27H25NO6S/c1-17(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)35(33,34)24(27(31)32)15-16-28-25(29)22-5-3-4-6-23(22)26(28)30/h3-14,17,24H,15-16H2,1-2H3,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374494
PNG
(CHEMBL271736)
Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185892
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(4-is...)
Show SMILES CC(C)c1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C29H25NO4S/c1-19(2)22-13-9-20(10-14-22)7-8-21-11-15-23(16-12-21)35-26(29(33)34)17-18-30-27(31)24-5-3-4-6-25(24)28(30)32/h3-6,9-16,19,26H,17-18H2,1-2H3,(H,33,34)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185895
PNG
(2-(4'-chloro-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18ClNO6S/c25-17-9-5-15(6-10-17)16-7-11-18(12-8-16)33(31,32)21(24(29)30)13-14-26-22(27)19-3-1-2-4-20(19)23(26)28/h1-12,21H,13-14H2,(H,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185871
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(5-fl...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H18FN3O6S/c26-15-7-10-19-20(13-15)28-22(27-19)14-5-8-16(9-6-14)36(34,35)21(25(32)33)11-12-29-23(30)17-3-1-2-4-18(17)24(29)31/h1-10,13,21H,11-12H2,(H,27,28)(H,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374491
PNG
(CHEMBL271720)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C19H15F3N2O6S/c1-23(17-3-2-12-24(26)18(17)25)31(27,28)16-10-8-14(9-11-16)29-13-4-6-15(7-5-13)30-19(20,21)22/h2-12,26H,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185899
PNG
(2-[4-(4-chloro-phenylethynyl)-phenylsulfanyl]-4-(1...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(cc1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H18ClNO4S/c27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)33-23(26(31)32)15-16-28-24(29)21-3-1-2-4-22(21)25(28)30/h1-4,7-14,23H,15-16H2,(H,31,32)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185898
PNG
(2-[4-(4-butyl-phenylethynyl)-phenylsulfanyl]-4-(1,...)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C30H27NO4S/c1-2-3-6-21-9-11-22(12-10-21)13-14-23-15-17-24(18-16-23)36-27(30(34)35)19-20-31-28(32)25-7-4-5-8-26(25)29(31)33/h4-5,7-12,15-18,27H,2-3,6,19-20H2,1H3,(H,34,35)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374195
PNG
(CHEMBL257088)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c1-20(17-3-2-12-21(23)18(17)22)27(24,25)16-10-8-15(9-11-16)26-14-6-4-13(19)5-7-14/h2-12,23H,1H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185878
PNG
(2-(4'-cyano-biphenyl-4-sulfonyl)-4-(1,3-dioxo-1,3-...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H18N2O6S/c26-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)34(32,33)22(25(30)31)13-14-27-23(28)20-3-1-2-4-21(20)24(27)29/h1-12,22H,13-14H2,(H,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES [H][C@]1(CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@H](C(C)C)C(=O)O1)\C=C\CCS |r,t:13|
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374484
PNG
(CHEMBL403412)
Show SMILES CCN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-2-21(18-9-6-14-20(23)19(18)22)27(24,25)17-12-10-16(11-13-17)26-15-7-4-3-5-8-15/h3-14,23H,2H2,1H3
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n/an/a 3.60n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374192
PNG
(CHEMBL271866)
Show SMILES Oc1cccn(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c1=O
Show InChI InChI=1S/C19H14F3NO6S/c20-19(21,22)29-15-5-3-13(4-6-15)28-14-7-9-16(10-8-14)30(26,27)12-23-11-1-2-17(24)18(23)25/h1-11,24H,12H2
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 405-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.049
BindingDB Entry DOI: 10.7270/Q2T154HP
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185886
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-[4-(3-me...)
Show SMILES COc1cccc(c1)C#Cc1ccc(SC(CCN2C(=O)c3ccccc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C27H21NO5S/c1-33-20-6-4-5-19(17-20)10-9-18-11-13-21(14-12-18)34-24(27(31)32)15-16-28-25(29)22-7-2-3-8-23(22)26(28)30/h2-8,11-14,17,24H,15-16H2,1H3,(H,31,32)
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374496
PNG
(CHEMBL539930)
Show SMILES On1cccc(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O6S/c24-18-3-5-19(6-4-18)33-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-32-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4.20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374500
PNG
(CHEMBL257673)
Show SMILES CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H18N2O5S/c1-14-5-7-15(8-6-14)26-16-9-11-17(12-10-16)27(24,25)20(2)18-4-3-13-21(23)19(18)22/h3-13,23H,1-2H3
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n/an/a 4.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185893
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-trif...)
Show SMILES OC(=O)C(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H18F3NO6S/c26-25(27,28)17-9-5-15(6-10-17)16-7-11-18(12-8-16)36(34,35)21(24(32)33)13-14-29-22(30)19-3-1-2-4-20(19)23(29)31/h1-12,21H,13-14H2,(H,32,33)
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n/an/a 4.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185875
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO7S/c1-33-18-10-6-16(7-11-18)17-8-12-19(13-9-17)34(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374493
PNG
(CHEMBL429431)
Show SMILES On1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H22ClN3O7S/c24-17-3-5-18(6-4-17)34-19-7-9-20(10-8-19)35(31,32)27(21-2-1-11-26(30)23(21)29)16-22(28)25-12-14-33-15-13-25/h1-11,30H,12-16H2
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n/an/a 4.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50185877
PNG
(4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(4'-meth...)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(CCN1C(=O)c2ccccc2C1=O)C(O)=O
Show InChI InChI=1S/C25H21NO6S/c1-16-6-8-17(9-7-16)18-10-12-19(13-11-18)33(31,32)22(25(29)30)14-15-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3,(H,29,30)
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n/an/a 4.90n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 3096-100 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.065
BindingDB Entry DOI: 10.7270/Q2M90886
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374493
PNG
(CHEMBL429431)
Show SMILES On1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H22ClN3O7S/c24-17-3-5-18(6-4-17)34-19-7-9-20(10-8-19)35(31,32)27(21-2-1-11-26(30)23(21)29)16-22(28)25-12-14-33-15-13-25/h1-11,30H,12-16H2
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n/an/a 4.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50374495
PNG
(CHEMBL402554)
Show SMILES On1cccc(N(CCN2CCSCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1=O
Show InChI InChI=1S/C23H24ClN3O5S2/c24-18-3-5-19(6-4-18)32-20-7-9-21(10-8-20)34(30,31)27(13-12-25-14-16-33-17-15-25)22-2-1-11-26(29)23(22)28/h1-11,29H,12-17H2
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n/an/a 4.90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
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