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Patent code US9115102

Compile Data Set for Download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 5n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 10n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175081
PNG
(US9115102, Ex9)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C22H27FN4O6S/c1-34(31,32)27-12-10-26(11-13-27)20(22(29)25-30)14-24-21(28)17-4-8-19(9-5-17)33-15-16-2-6-18(23)7-3-16/h2-9,20,30H,10-15H2,1H3,(H,24,28)(H,25,29)/t20-/m0/s1
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n/an/a 21n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175082
PNG
(US9115102, Ex13)
Show SMILES CC#CCOc1ccc(cc1)C(=O)N(C)C[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C20H28N4O6S/c1-4-5-14-30-17-8-6-16(7-9-17)20(26)22(2)15-18(19(25)21-27)23-10-12-24(13-11-23)31(3,28)29/h6-9,18,27H,10-15H2,1-3H3,(H,21,25)/t18-/m0/s1
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n/an/a 22n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 28n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175075
PNG
(US9115102, Ex1)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NCC(N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)
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n/an/a 32n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 35n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175084
PNG
(US9115102, Ex16)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCC#CCO)cc1)C(=O)NO
Show InChI InChI=1S/C19H26N4O7S/c1-31(28,29)23-10-8-22(9-11-23)17(19(26)21-27)14-20-18(25)15-4-6-16(7-5-15)30-13-3-2-12-24/h4-7,17,24,27H,8-14H2,1H3,(H,20,25)(H,21,26)/t17-/m0/s1
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n/an/a 35n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175079
PNG
(US9115102, Ex6)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C22H28N4O6S/c1-33(30,31)26-13-11-25(12-14-26)20(22(28)24-29)15-23-21(27)18-7-9-19(10-8-18)32-16-17-5-3-2-4-6-17/h2-10,20,29H,11-16H2,1H3,(H,23,27)(H,24,28)/t20-/m0/s1
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n/an/a 40n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175092
PNG
(US9115102, Ex25)
Show SMILES CCN1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C27H33N5O4/c1-3-31-12-14-32(15-13-31)25(27(34)30-35)17-28-26(33)20-8-10-22(11-9-20)36-18-21-16-19(2)29-24-7-5-4-6-23(21)24/h4-11,16,25,35H,3,12-15,17-18H2,1-2H3,(H,28,33)(H,30,34)/t25-/m0/s1
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n/an/a 45n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175080
PNG
(US9115102, Ex8)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)NO
Show InChI InChI=1S/C25H30N4O6S/c1-3-4-17-35-21-9-7-20(8-10-21)24(30)26-18-23(25(31)27-32)28-13-15-29(16-14-28)36(33,34)22-11-5-19(2)6-12-22/h5-12,23,32H,13-18H2,1-2H3,(H,26,30)(H,27,31)/t23-/m0/s1
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n/an/a 54n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175085
PNG
(US9115102, Ex17)
Show SMILES COc1ccc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C23H30N4O7S/c1-33-19-7-3-17(4-8-19)16-34-20-9-5-18(6-10-20)22(28)24-15-21(23(29)25-30)26-11-13-27(14-12-26)35(2,31)32/h3-10,21,30H,11-16H2,1-2H3,(H,24,28)(H,25,29)/t21-/m0/s1
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n/an/a 70n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 71n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175089
PNG
(US9115102, Ex22)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(Cc3ccccc3)CC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C32H35N5O4/c1-23-19-26(28-9-5-6-10-29(28)34-23)22-41-27-13-11-25(12-14-27)31(38)33-20-30(32(39)35-40)37-17-15-36(16-18-37)21-24-7-3-2-4-8-24/h2-14,19,30,40H,15-18,20-22H2,1H3,(H,33,38)(H,35,39)/t30-/m0/s1
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n/an/a 79n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a 81n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a 81n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 82n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 85n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 88n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175094
PNG
(US9115102, Ex11)
Show SMILES Cc1ccc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)cc1
Show InChI InChI=1S/C23H30N4O6S/c1-17-3-5-18(6-4-17)16-33-20-9-7-19(8-10-20)22(28)24-15-21(23(29)25-30)26-11-13-27(14-12-26)34(2,31)32/h3-10,21,30H,11-16H2,1-2H3,(H,24,28)(H,25,29)/t21-/m0/s1
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n/an/a 95n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175086
PNG
(US9115102, Ex18)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2ccncc2)cc1)C(=O)NO
Show InChI InChI=1S/C21H27N5O6S/c1-33(30,31)26-12-10-25(11-13-26)19(21(28)24-29)14-23-20(27)17-2-4-18(5-3-17)32-15-16-6-8-22-9-7-16/h2-9,19,29H,10-15H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
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n/an/a 99n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175090
PNG
(US9115102, Ex23)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C28H35N5O6S/c1-19(2)40(37,38)33-14-12-32(13-15-33)26(28(35)31-36)17-29-27(34)21-8-10-23(11-9-21)39-18-22-16-20(3)30-25-7-5-4-6-24(22)25/h4-11,16,19,26,36H,12-15,17-18H2,1-3H3,(H,29,34)(H,31,35)/t26-/m0/s1
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n/an/a 102n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175096
PNG
(US9115102, Ex10)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(=O)NO
Show InChI InChI=1S/C23H27F3N4O6S/c1-37(34,35)30-12-10-29(11-13-30)20(22(32)28-33)14-27-21(31)17-4-8-19(9-5-17)36-15-16-2-6-18(7-3-16)23(24,25)26/h2-9,20,33H,10-15H2,1H3,(H,27,31)(H,28,32)/t20-/m0/s1
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n/an/a 117n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175088
PNG
(US9115102, Ex21)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCc2ccnc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C25H29N5O6S/c1-37(34,35)30-14-12-29(13-15-30)23(25(32)28-33)16-27-24(31)18-6-8-20(9-7-18)36-17-19-10-11-26-22-5-3-2-4-21(19)22/h2-11,23,33H,12-17H2,1H3,(H,27,31)(H,28,32)/t23-/m0/s1
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n/an/a 118n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175087
PNG
(US9115102, Ex19)
Show SMILES Cc1ccc2ccccc2c1COc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C27H32N4O6S/c1-19-7-8-20-5-3-4-6-23(20)24(19)18-37-22-11-9-21(10-12-22)26(32)28-17-25(27(33)29-34)30-13-15-31(16-14-30)38(2,35)36/h3-12,25,34H,13-18H2,1-2H3,(H,28,32)(H,29,33)/t25-/m0/s1
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n/an/a 138n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 145n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175077
PNG
(US9115102, Ex4)
Show SMILES COc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C16H24N4O6S/c1-26-13-5-3-12(4-6-13)15(21)17-11-14(16(22)18-23)19-7-9-20(10-8-19)27(2,24)25/h3-6,14,23H,7-11H2,1-2H3,(H,17,21)(H,18,22)/t14-/m0/s1
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n/an/a 160n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM175078
PNG
(US9115102, Ex5)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)c1ccc(OCC2CC2)cc1)C(=O)NO
Show InChI InChI=1S/C19H28N4O6S/c1-30(27,28)23-10-8-22(9-11-23)17(19(25)21-26)12-20-18(24)15-4-6-16(7-5-15)29-13-14-2-3-14/h4-7,14,17,26H,2-3,8-13H2,1H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 200n/an/an/an/a7.4n/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 942n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a 6.83E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))		BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))		BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...

US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%