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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'xue' 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
Collagenase 3


(Homo sapiens (Human))
BDBM30369
PNG
(piperidinyl glycine derivative, 24f)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O7S2/c1-4-31-18-7-5-16(6-8-18)19-9-10-20(33-19)34(29,30)24-21(22(26)27)17-11-13-25(14-12-17)23(28)32-15(2)3/h5-10,15,17,21,24H,4,11-14H2,1-3H3,(H,26,27)/t21-/m1/s1
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0.190 -54.9 0.5n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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0.280 -54.0 0.300n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM30344
PNG
(Cipemastat | Trocade)
Show SMILES CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
Show InChI InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
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0.530 -52.4 3.5n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(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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1.27 -50.3 1.90n/an/an/an/a7.522



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016469
PNG
(CHEMBL514709)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccccc23)c(OC)c1
Show InChI InChI=1S/C17H15NO3/c1-20-12-8-7-11(16(10-12)21-2)9-14-13-5-3-4-6-15(13)18-17(14)19/h3-10H,1-2H3,(H,18,19)/b14-9+
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93n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016480
PNG
(CHEMBL3265104)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(F)cc23)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClFNO2/c1-27-17-8-4-14(18(12-17)13-2-5-15(23)6-3-13)10-20-19-11-16(24)7-9-21(19)25-22(20)26/h2-12H,1H3,(H,25,26)/b20-10+
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100n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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110n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016476
PNG
(CHEMBL3265101)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3cc(F)ccc23)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H15FN2O2/c1-28-18-8-6-16(20(12-18)15-4-2-14(13-25)3-5-15)10-21-19-9-7-17(24)11-22(19)26-23(21)27/h2-12H,1H3,(H,26,27)/b21-10+
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140n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016470
PNG
(CHEMBL3265094)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(OC)c1
Show InChI InChI=1S/C17H14ClNO3/c1-21-12-5-3-10(16(9-12)22-2)7-14-13-8-11(18)4-6-15(13)19-17(14)20/h3-9H,1-2H3,(H,19,20)/b14-7+
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140n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016478
PNG
(CHEMBL3265103)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2/c1-27-17-8-4-14(18(12-17)13-2-5-15(23)6-3-13)10-20-19-11-16(24)7-9-21(19)25-22(20)26/h2-12H,1H3,(H,25,26)/b20-10+
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140n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016475
PNG
(CHEMBL3265100)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H15ClN2O2/c1-28-18-8-6-16(19(12-18)15-4-2-14(13-25)3-5-15)10-21-20-11-17(24)7-9-22(20)26-23(21)27/h2-12H,1H3,(H,26,27)/b21-10+
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150n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016477
PNG
(CHEMBL3265102)
Show SMILES COc1cccc(\C=C2\C(=O)Nc3cc(Cl)ccc23)c1-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H15ClN2O2/c1-28-21-4-2-3-16(22(21)15-7-5-14(13-25)6-8-15)11-19-18-10-9-17(24)12-20(18)26-23(19)27/h2-12H,1H3,(H,26,27)/b19-11+
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190n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016474
PNG
(CHEMBL3265099)
Show SMILES CC(C)Oc1ccc(\C=C2\C(=O)Nc3cc(Cl)ccc23)c(OC(C)C)c1
Show InChI InChI=1S/C21H22ClNO3/c1-12(2)25-16-7-5-14(20(11-16)26-13(3)4)9-18-17-8-6-15(22)10-19(17)23-21(18)24/h5-13H,1-4H3,(H,23,24)/b18-9+
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200n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016468
PNG
(CHEMBL3265096)
Show SMILES CCCOc1ccc(\C=C2\C(=O)Nc3ccccc23)c(OCCC)c1
Show InChI InChI=1S/C21H23NO3/c1-3-11-24-16-10-9-15(20(14-16)25-12-4-2)13-18-17-7-5-6-8-19(17)22-21(18)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)/b18-13+
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230n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016468
PNG
(CHEMBL3265096)
Show SMILES CCCOc1ccc(\C=C2\C(=O)Nc3ccccc23)c(OCCC)c1
Show InChI InChI=1S/C21H23NO3/c1-3-11-24-16-10-9-15(20(14-16)25-12-4-2)13-18-17-7-5-6-8-19(17)22-21(18)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,23)/b18-13+
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230n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human MCF7 cells assessed as inhibition of MDM2-p53 interaction


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016481
PNG
(CHEMBL3259872)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(Br)c1
Show InChI InChI=1S/C16H11BrClNO2/c1-21-11-4-2-9(14(17)8-11)6-13-12-7-10(18)3-5-15(12)19-16(13)20/h2-8H,1H3,(H,19,20)/b13-6+
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230n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016473
PNG
(CHEMBL3265098)
Show SMILES CC(C)Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(OC(C)C)c1
Show InChI InChI=1S/C21H22ClNO3/c1-12(2)25-16-7-5-14(20(11-16)26-13(3)4)9-18-17-10-15(22)6-8-19(17)23-21(18)24/h5-13H,1-4H3,(H,23,24)/b18-9+
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240n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016472
PNG
(CHEMBL3265097)
Show SMILES CCCOc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)c(OCCC)c1
Show InChI InChI=1S/C21H22ClNO3/c1-3-9-25-16-7-5-14(20(13-16)26-10-4-2)11-18-17-12-15(22)6-8-19(17)23-21(18)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24)/b18-11+
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280n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50016471
PNG
(CHEMBL3265095)
Show SMILES COc1ccc(\C=C2\C(=O)Nc3cc(F)ccc23)c(OC)c1
Show InChI InChI=1S/C17H14FNO3/c1-21-12-5-3-10(16(9-12)22-2)7-14-13-6-4-11(18)8-15(13)19-17(14)20/h3-9H,1-2H3,(H,19,20)/b14-7+
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340n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Science and Peking Union Medical College

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay


Eur J Med Chem 81: 277-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.027
BindingDB Entry DOI: 10.7270/Q2736SGW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30356
PNG
(BOC-piperidinyl glycine derivative, 31)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C26H35N3O6S/c1-26(2,3)35-25(32)29-16-14-20(15-17-29)23(24(30)31)27-36(33,34)22-12-8-19(9-13-22)18-6-10-21(11-7-18)28(4)5/h6-13,20,23,27H,14-17H2,1-5H3,(H,30,31)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30345
PNG
(BOC-piperidinyl glycine derivative, 9)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H33N3O6S2/c1-24(2,3)33-23(30)27-14-12-17(13-15-27)21(22(28)29)25-35(31,32)20-11-10-19(34-20)16-6-8-18(9-7-16)26(4)5/h6-11,17,21,25H,12-15H2,1-5H3,(H,28,29)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30384
PNG
(piperidinyl glycine derivative, 24u)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O8S2/c1-2-34-19-5-3-17(4-6-19)21-7-8-22(36-21)37(31,32)26-23(24(28)29)18-9-13-27(14-10-18)25(30)35-20-11-15-33-16-12-20/h3-8,18,20,23,26H,2,9-16H2,1H3,(H,28,29)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30380
PNG
(piperidinyl glycine derivative, 24q)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(CC)CC)C(O)=O |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-4-19(5-2)34-25(30)27-15-13-18(14-16-27)23(24(28)29)26-36(31,32)22-12-11-21(35-22)17-7-9-20(10-8-17)33-6-3/h7-12,18-19,23,26H,4-6,13-16H2,1-3H3,(H,28,29)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30383
PNG
(piperidinyl glycine derivative, 24t)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCCC1)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O7S2/c1-2-33-19-9-7-17(8-10-19)21-11-12-22(35-21)36(31,32)26-23(24(28)29)18-13-15-27(16-14-18)25(30)34-20-5-3-4-6-20/h7-12,18,20,23,26H,2-6,13-16H2,1H3,(H,28,29)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30359
PNG
(BOC-piperidinyl glycine derivative, 34)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O7S/c1-25(2,3)34-24(30)27-15-13-19(14-16-27)22(23(28)29)26-35(31,32)21-11-7-18(8-12-21)17-5-9-20(33-4)10-6-17/h5-12,19,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30360
PNG
(BOC-piperidinyl glycine derivative, 35)
Show SMILES CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O7S/c1-5-34-21-10-6-18(7-11-21)19-8-12-22(13-9-19)36(32,33)27-23(24(29)30)20-14-16-28(17-15-20)25(31)35-26(2,3)4/h6-13,20,23,27H,5,14-17H2,1-4H3,(H,29,30)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30382
PNG
(piperidinyl glycine derivative, 24s)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-5-32-18-8-6-16(7-9-18)19-10-11-20(34-19)35(30,31)25-21(22(27)28)17-12-14-26(15-13-17)23(29)33-24(2,3)4/h6-11,17,21,25H,5,12-15H2,1-4H3,(H,27,28)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30367
PNG
(piperidinyl glycine derivative, 24d)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O7S2/c1-14(2)31-22(27)24-12-10-16(11-13-24)20(21(25)26)23-33(28,29)19-9-8-18(32-19)15-4-6-17(30-3)7-5-15/h4-9,14,16,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30379
PNG
(piperidinyl glycine derivative, 24p)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-4-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-15-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30397
PNG
(piperidinyl glycine derivative, 27d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C26H30N2O7S3/c1-2-35-22-10-8-20(9-11-22)23-12-13-24(36-23)38(33,34)27-25(26(29)30)21-14-16-28(17-15-21)37(31,32)18-19-6-4-3-5-7-19/h3-13,21,25,27H,2,14-18H2,1H3,(H,29,30)/t25-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30357
PNG
(BOC-piperidinyl glycine derivative, 32)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O6S/c1-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34(31,32)26-22(23(28)29)20-13-15-27(16-14-20)24(30)33-25(2,3)4/h5-12,20,22,26H,13-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30396
PNG
(piperidinyl glycine derivative, 27c)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-2-34-20-10-8-18(9-11-20)22-12-13-23(35-22)36(30,31)26-24(25(28)29)19-14-16-27(17-15-19)37(32,33)21-6-4-3-5-7-21/h3-13,19,24,26H,2,14-17H2,1H3,(H,28,29)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30347
PNG
(BOC-piperidinyl glycine derivative, 22a)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C27H37N3O6S2/c1-27(2,3)36-26(33)30-17-13-20(14-18-30)24(25(31)32)28-38(34,35)23-12-11-22(37-23)19-7-9-21(10-8-19)29-15-5-4-6-16-29/h7-12,20,24,28H,4-6,13-18H2,1-3H3,(H,31,32)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30378
PNG
(piperidinyl glycine derivative, 24o)
Show SMILES CCCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-3-5-16-33-24(29)26-14-12-18(13-15-26)22(23(27)28)25-35(30,31)21-11-10-20(34-21)17-6-8-19(9-7-17)32-4-2/h6-11,18,22,25H,3-5,12-16H2,1-2H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30387
PNG
(piperidinyl glycine derivative, 25c)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H31N3O6S2/c1-4-32-18-7-5-16(6-8-18)19-9-10-20(33-19)34(30,31)25-21(22(27)28)17-11-13-26(14-12-17)23(29)24-15(2)3/h5-10,15,17,21,25H,4,11-14H2,1-3H3,(H,24,29)(H,27,28)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30370
PNG
(piperidinyl glycine derivative, 24g)
Show SMILES CCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O7S2/c1-4-15-32-19-7-5-17(6-8-19)20-9-10-21(34-20)35(30,31)25-22(23(27)28)18-11-13-26(14-12-18)24(29)33-16(2)3/h5-10,16,18,22,25H,4,11-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30372
PNG
(piperidinyl glycine derivative, 24i)
Show SMILES COCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
Show InChI InChI=1S/C24H32N2O8S2/c1-16(2)34-24(29)26-12-10-18(11-13-26)22(23(27)28)25-36(30,31)21-9-8-20(35-21)17-4-6-19(7-5-17)33-15-14-32-3/h4-9,16,18,22,25H,10-15H2,1-3H3,(H,27,28)/t22-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30392
PNG
(piperidinyl glycine derivative, 26d)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H34N2O6S2/c1-2-34-21-10-8-18(9-11-21)22-12-13-23(35-22)36(32,33)27-24(26(30)31)19-14-16-28(17-15-19)25(29)20-6-4-3-5-7-20/h8-13,19-20,24,27H,2-7,14-17H2,1H3,(H,30,31)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30381
PNG
(piperidinyl glycine derivative, 24r)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C25H34N2O7S2/c1-5-33-19-8-6-17(7-9-19)20-10-11-21(35-20)36(31,32)26-22(23(28)29)18-12-14-27(15-13-18)24(30)34-16-25(2,3)4/h6-11,18,22,26H,5,12-16H2,1-4H3,(H,28,29)/t22-/m1/s1
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n/an/a 0.900n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30377
PNG
(piperidinyl glycine derivative, 24n)
Show SMILES CCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O7S2/c1-3-15-32-23(28)25-13-11-17(12-14-25)21(22(26)27)24-34(29,30)20-10-9-19(33-20)16-5-7-18(8-6-16)31-4-2/h5-10,17,21,24H,3-4,11-15H2,1-2H3,(H,26,27)/t21-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30395
PNG
(piperidinyl glycine derivative, 27b)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H26N2O7S3/c1-33-19-9-7-17(8-10-19)21-11-12-22(34-21)35(29,30)25-23(24(27)28)18-13-15-26(16-14-18)36(31,32)20-5-3-2-4-6-20/h2-12,18,23,25H,13-16H2,1H3,(H,27,28)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30373
PNG
(piperidinyl glycine derivative, 24j)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O6S2/c1-14(2)30-22(27)24-12-10-17(11-13-24)20(21(25)26)23-32(28,29)19-9-8-18(31-19)16-6-4-15(3)5-7-16/h4-9,14,17,20,23H,10-13H2,1-3H3,(H,25,26)/t20-/m1/s1
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n/an/a 1.30n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30364
PNG
(piperidinyl glycine derivative, 24a)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C26H35N3O6S2/c1-18(2)35-26(32)29-16-12-20(13-17-29)24(25(30)31)27-37(33,34)23-11-10-22(36-23)19-6-8-21(9-7-19)28-14-4-3-5-15-28/h6-11,18,20,24,27H,3-5,12-17H2,1-2H3,(H,30,31)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30385
PNG
(piperidinyl glycine derivative, 25a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H31N3O6S2/c1-23(2,3)24-22(29)26-13-11-16(12-14-26)20(21(27)28)25-34(30,31)19-10-9-18(33-19)15-5-7-17(32-4)8-6-15/h5-10,16,20,25H,11-14H2,1-4H3,(H,24,29)(H,27,28)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30394
PNG
(piperidinyl glycine derivative, 27a)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C25H28N2O7S3/c1-17-3-9-21(10-4-17)37(32,33)27-15-13-19(14-16-27)24(25(28)29)26-36(30,31)23-12-11-22(35-23)18-5-7-20(34-2)8-6-18/h3-12,19,24,26H,13-16H2,1-2H3,(H,28,29)/t24-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30386
PNG
(piperidinyl glycine derivative, 25b)
Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H29N3O6S2/c1-14(2)23-22(28)25-12-10-16(11-13-25)20(21(26)27)24-33(29,30)19-9-8-18(32-19)15-4-6-17(31-3)7-5-15/h4-9,14,16,20,24H,10-13H2,1-3H3,(H,23,28)(H,26,27)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30393
PNG
(piperidinyl glycine derivative, 26e)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCOCC1)C(O)=O |r|
Show InChI InChI=1S/C25H32N2O7S2/c1-2-34-20-5-3-17(4-6-20)21-7-8-22(35-21)36(31,32)26-23(25(29)30)18-9-13-27(14-10-18)24(28)19-11-15-33-16-12-19/h3-8,18-19,23,26H,2,9-16H2,1H3,(H,29,30)/t23-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30376
PNG
(piperidinyl glycine derivative, 24m)
Show SMILES CCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H28N2O7S2/c1-3-30-17-7-5-15(6-8-17)18-9-10-19(32-18)33(28,29)23-20(21(25)26)16-11-13-24(14-12-16)22(27)31-4-2/h5-10,16,20,23H,3-4,11-14H2,1-2H3,(H,25,26)/t20-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 2n/an/an/an/an/a25



Novartis



Assay Description
Test compounds were serially diluted in deep well plates, and an aliquot of the inhibitor solutions was transferred to a Biomek deep well plate conta...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM30368
PNG
(piperidinyl glycine derivative, 24e)
Show SMILES CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H25F3N2O7S2/c1-13(2)33-21(30)27-11-9-15(10-12-27)19(20(28)29)26-36(31,32)18-8-7-17(35-18)14-3-5-16(6-4-14)34-22(23,24)25/h3-8,13,15,19,26H,9-12H2,1-2H3,(H,28,29)/t19-/m1/s1
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Novartis



Assay Description
Test compounds were serially diluted in the assay buffer. In each well of a 96-well microtiter plate (Immunofluor B, Dynatech), the inhibitor solutio...


J Med Chem 52: 3523-38 (2009)


Article DOI: 10.1021/jm801394m
BindingDB Entry DOI: 10.7270/Q2B27SN3
More data for this
Ligand-Target Pair
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