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Compile Data Set for Download or QSAR

Found 255 hits with Last Name = 'ferrini' and Initial = 's'   
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
ADAM17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50441212
PNG
(CHEMBL2431028)
Show SMILES NC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22Br2N4O6S/c20-13-8-12(9-14(21)10-13)11-31-15-3-5-16(6-4-15)32(29,30)25-17(18(26)24-28)2-1-7-23-19(22)27/h3-6,8-10,17,25,28H,1-2,7,11H2,(H,24,26)(H3,22,23,27)/t17-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 2n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008253
PNG
(CHEMBL3234764)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N5O4/c1-4-26-25(33)23-24(18-7-5-17(6-8-18)15-29-9-11-34-12-10-29)30(28-27-23)20-13-19(16(2)3)21(31)14-22(20)32/h5-8,13-14,16,31-32H,4,9-12,15H2,1-3H3,(H,26,33)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008262
PNG
(CHEMBL3234773)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CCO)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H33N5O4/c1-5-26-25(34)23-24(18-9-7-17(8-10-18)15-29(6-2)11-12-31)30(28-27-23)20-13-19(16(3)4)21(32)14-22(20)33/h7-10,13-14,16,31-33H,5-6,11-12,15H2,1-4H3,(H,26,34)
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008258
PNG
(CHEMBL3234769)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N5O3/c1-4-26-25(33)23-24(18-9-7-17(8-10-18)15-29-11-5-6-12-29)30(28-27-23)20-13-19(16(2)3)21(31)14-22(20)32/h7-10,13-14,16,31-32H,4-6,11-12,15H2,1-3H3,(H,26,33)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008268
PNG
(CHEMBL3234779)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H37N5O3/c1-4-30-28(36)26-27(33(32-31-26)23-14-22(18(2)3)24(34)15-25(23)35)21-12-10-20(11-13-21)17-29-16-19-8-6-5-7-9-19/h10-15,18-19,29,34-35H,4-9,16-17H2,1-3H3,(H,30,36)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008263
PNG
(CHEMBL3234774)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H32N6O3/c1-4-27-25(34)23-24(18-7-5-17(6-8-18)15-30-11-9-26-10-12-30)31(29-28-23)20-13-19(16(2)3)21(32)14-22(20)33/h5-8,13-14,16,26,32-33H,4,9-12,15H2,1-3H3,(H,27,34)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008264
PNG
(CHEMBL3234775)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H34N6O3/c1-5-27-26(35)24-25(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)32(29-28-24)21-14-20(17(2)3)22(33)15-23(21)34/h6-9,14-15,17,33-34H,5,10-13,16H2,1-4H3,(H,27,35)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008265
PNG
(CHEMBL3234776)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCC(CC2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H38N6O3/c1-6-29-28(37)26-27(34(31-30-26)23-15-22(18(2)3)24(35)16-25(23)36)20-9-7-19(8-10-20)17-33-13-11-21(12-14-33)32(4)5/h7-10,15-16,18,21,35-36H,6,11-14,17H2,1-5H3,(H,29,37)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008267
PNG
(CHEMBL3234778)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H35N5O3/c1-4-28-27(35)25-26(19-12-10-18(11-13-19)16-29-20-8-6-5-7-9-20)32(31-30-25)22-14-21(17(2)3)23(33)15-24(22)34/h10-15,17,20,29,33-34H,4-9,16H2,1-3H3,(H,28,35)
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n/an/a 6.80n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008260
PNG
(CHEMBL3234771)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2CCO)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H37N5O4/c1-4-29-28(37)26-27(33(31-30-26)23-15-22(18(2)3)24(35)16-25(23)36)20-10-8-19(9-11-20)17-32-13-6-5-7-21(32)12-14-34/h8-11,15-16,18,21,34-36H,4-7,12-14,17H2,1-3H3,(H,29,37)
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50441213
PNG
(CHEMBL2431027)
Show SMILES ONC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1 |r|
Show InChI InChI=1S/C26H27Br2N3O7S/c27-20-13-19(14-21(28)15-20)17-37-22-8-10-23(11-9-22)39(35,36)31-24(25(32)30-34)7-4-12-29-26(33)38-16-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-15,24,31,34H,4,7,12,16-17H2,(H,29,33)(H,30,32)/t24-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50294119
PNG
(CHEMBL561625 | N-hydroxy-2-(N-isobutylbiphenyl-4-y...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H22N2O4S/c1-14(2)12-20(13-18(21)19-22)25(23,24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,22H,12-13H2,1-2H3,(H,19,21)
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n/an/a 12n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50008222
PNG
(CHEMBL3235118)
Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCCCCC(=O)NO)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H40N6O6/c1-20(2)23-17-24(26(38)18-25(23)37)36-29(22-10-8-21(9-11-22)19-35-13-15-42-16-14-35)28(32-34-36)30(40)31-12-6-4-3-5-7-27(39)33-41/h8-11,17-18,20,37-38,41H,3-7,12-16,19H2,1-2H3,(H,31,40)(H,33,39)
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC-6 using RHKK(Ac) as substrate by fluorescence assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008237
PNG
(CHEMBL3235110)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H40N6O3/c1-6-30-28(37)26-27(34(32-31-26)23-16-22(19(4)5)24(35)17-25(23)36)21-12-10-20(11-13-21)18-29-14-9-15-33(7-2)8-3/h10-13,16-17,19,29,35-36H,6-9,14-15,18H2,1-5H3,(H,30,37)
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50161331
PNG
(2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydro...)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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n/an/a 12n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314224
PNG
((R)-2-(4-(but-2-ynyloxy)-N-isobutylphenylsulfonami...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C26H29N3O7S/c1-4-5-16-36-19-10-12-20(13-11-19)37(34,35)29(17-18(2)3)23(24(30)27-33)14-15-28-25(31)21-8-6-7-9-22(21)26(28)32/h6-13,18,23,33H,14-17H2,1-3H3,(H,27,30)/t23-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008266
PNG
(CHEMBL3234777)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O |r|
Show InChI InChI=1S/C27H36N6O3/c1-6-28-27(36)25-26(33(30-29-25)22-13-21(17(2)3)23(34)14-24(22)35)19-9-7-18(8-10-19)15-32-12-11-20(16-32)31(4)5/h7-10,13-14,17,20,34-35H,6,11-12,15-16H2,1-5H3,(H,28,36)/t20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 13n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human SKOV3 cells transfected with luciferase gene assessed as inhibition of pervanadate-induced sALCAM release incubated fo...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human A2774 cells assessed as inhibition of pervanadate-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008236
PNG
(CHEMBL3235109)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H38N6O3/c1-6-29-27(36)25-26(20-11-9-19(10-12-20)17-28-13-14-32(7-2)8-3)33(31-30-25)22-15-21(18(4)5)23(34)16-24(22)35/h9-12,15-16,18,28,34-35H,6-8,13-14,17H2,1-5H3,(H,29,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008223
PNG
(CHEMBL3235108)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H36N6O4/c1-4-29-27(36)25-26(33(31-30-25)22-15-21(18(2)3)23(34)16-24(22)35)20-7-5-19(6-8-20)17-28-9-10-32-11-13-37-14-12-32/h5-8,15-16,18,28,34-35H,4,9-14,17H2,1-3H3,(H,29,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50314228
PNG
((R)-N-hydroxy-2-(N-isobutyl-4-methoxyphenylsulfona...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C16H26N2O5S/c1-11(2)10-18(15(12(3)4)16(19)17-20)24(21,22)14-8-6-13(23-5)7-9-14/h6-9,11-12,15,20H,10H2,1-5H3,(H,17,19)/t15-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50441228
PNG
(CHEMBL2431029)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(OCc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H15BrN2O5S/c16-12-3-1-11(2-4-12)10-23-13-5-7-14(8-6-13)24(21,22)17-9-15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)
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n/an/a 16n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50131516
PNG
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydroxyac...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C12H14N2O5S/c1-2-3-8-19-10-4-6-11(7-5-10)20(17,18)13-9-12(15)14-16/h4-7,13,16H,8-9H2,1H3,(H,14,15)
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n/an/a 17n/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 30 mins measured every 15 secs ...


J Med Chem 56: 8089-103 (2013)


Article DOI: 10.1021/jm4011753
BindingDB Entry DOI: 10.7270/Q2DR2WZ0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008239
PNG
(CHEMBL3235112)
Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCl)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H30ClN5O4/c1-16(2)19-13-20(22(33)14-21(19)32)31-24(23(28-29-31)25(34)27-8-7-26)18-5-3-17(4-6-18)15-30-9-11-35-12-10-30/h3-6,13-14,16,32-33H,7-12,15H2,1-2H3,(H,27,34)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008257
PNG
(CHEMBL3234768)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N5O3/c1-4-27-26(34)24-25(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)31(29-28-24)21-14-20(17(2)3)22(32)15-23(21)33/h8-11,14-15,17,32-33H,4-7,12-13,16H2,1-3H3,(H,27,34)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50314224
PNG
((R)-2-(4-(but-2-ynyloxy)-N-isobutylphenylsulfonami...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C26H29N3O7S/c1-4-5-16-36-19-10-12-20(13-11-19)37(34,35)29(17-18(2)3)23(24(30)27-33)14-15-28-25(31)21-8-6-7-9-22(21)26(28)32/h6-13,18,23,33H,14-17H2,1-3H3,(H,27,30)/t23-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008259
PNG
(CHEMBL3234770)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(Cn2ccnc2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H26N6O3/c1-4-26-24(33)22-23(17-7-5-16(6-8-17)13-29-10-9-25-14-29)30(28-27-22)19-11-18(15(2)3)20(31)12-21(19)32/h5-12,14-15,31-32H,4,13H2,1-3H3,(H,26,33)
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008254
PNG
(CHEMBL3234765)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC(O)C2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N5O4/c1-4-27-26(35)24-25(18-9-7-17(8-10-18)14-30-11-5-6-19(32)15-30)31(29-28-24)21-12-20(16(2)3)22(33)13-23(21)34/h7-10,12-13,16,19,32-34H,4-6,11,14-15H2,1-3H3,(H,27,35)
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
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