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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 403.3
BDBM126731
Wt: 402.4
BDBM126754
Wt: 376.4
BDBM126769
Wt: 390.4
BDBM126801
Wt: 400.4
BDBM126804
Wt: 376.4
BDBM126808
Wt: 402.4
BDBM126787
Wt: 341.3
BDBM126791
Wt: 322.3
BDBM126773
Wt: 350.3
BDBM126774
Wt: 402.4
BDBM126794
Wt: 403.3
BDBM126781
Wt: 337.3
BDBM126813
Wt: 362.3
BDBM126784
Wt: 399.4
BDBM126798
Displayed 1 to 15 (of 97 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126731
PNG
(US8785489, N-(isoxazol-5-ylmethyl)-5-methyl-4-[2-(...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)NCc1ccno1
Show InChI InChI=1S/C20H17N7O3/c1-10-17(26-18(23-10)19(28)21-9-14-5-6-22-29-14)12-3-4-15-13(7-12)8-16(25-15)20-24-11(2)27-30-20/h3-8,25H,9H2,1-2H3,(H,21,28)(H,23,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126754
PNG
(US8785489, N-(3-furylmethyl)-5-methyl-4-[2-(3-meth...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)NCc1ccoc1
Show InChI InChI=1S/C21H18N6O3/c1-11-18(26-19(23-11)20(28)22-9-13-5-6-29-10-13)14-3-4-16-15(7-14)8-17(25-16)21-24-12(2)27-30-21/h3-8,10,25H,9H2,1-2H3,(H,22,28)(H,23,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126769
PNG
(US8785489, N-(cyclopropylmethyl)-5-methyl-4-[2-(3-...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)NCC1CC1
Show InChI InChI=1S/C20H20N6O2/c1-10-17(25-18(22-10)19(27)21-9-12-3-4-12)13-5-6-15-14(7-13)8-16(24-15)20-23-11(2)26-28-20/h5-8,12,24H,3-4,9H2,1-2H3,(H,21,27)(H,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126773
PNG
(US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(N)=O
Show InChI InChI=1S/C16H14N6O2/c1-7-13(21-15(18-7)14(17)23)9-3-4-11-10(5-9)6-12(20-11)16-19-8(2)22-24-16/h3-6,20H,1-2H3,(H2,17,23)(H,18,21)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126774
PNG
(US8785489, N-ethyl-5-methyl-4-[2-(3-methyl-1,2,4-o...)
Show SMILES CCNC(=O)c1nc(c(C)[nH]1)-c1ccc2[nH]c(cc2c1)-c1nc(C)no1
Show InChI InChI=1S/C18H18N6O2/c1-4-19-17(25)16-20-9(2)15(23-16)11-5-6-13-12(7-11)8-14(22-13)18-21-10(3)24-26-18/h5-8,22H,4H2,1-3H3,(H,19,25)(H,20,23)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126781
PNG
(US8785489, N-(isoxazol-5-ylmethyl)-1-methyl-5-[2-(...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccno1
Show InChI InChI=1S/C20H17N7O3/c1-11-23-20(30-26-11)17-8-13-7-12(3-4-15(13)24-17)18-9-16(25-27(18)2)19(28)21-10-14-5-6-22-29-14/h3-9,24H,10H2,1-2H3,(H,21,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126784
PNG
(US8785489, N-cyclopropyl-5-methyl-4-[2-(3-methyl-1...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)NC1CC1
Show InChI InChI=1S/C19H18N6O2/c1-9-16(24-17(20-9)18(26)22-13-4-5-13)11-3-6-14-12(7-11)8-15(23-14)19-21-10(2)25-27-19/h3,6-8,13,23H,4-5H2,1-2H3,(H,20,24)(H,22,26)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126787
PNG
(US8785489, N-(2-furylmethyl)-1-methyl-5-[2-(3-meth...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccco1
Show InChI InChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-9-14-8-13(5-6-16(14)24-18)19-10-17(25-27(19)2)20(28)22-11-15-4-3-7-29-15/h3-10,24H,11H2,1-2H3,(H,22,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126791
PNG
(US8785489, ethyl 5-[2-(ethoxycarbonyl)-5-methyl-1H...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)OCC
Show InChI InChI=1S/C18H19N3O4/c1-4-24-17(22)14-9-12-8-11(6-7-13(12)20-14)15-10(3)19-16(21-15)18(23)25-5-2/h6-9,20H,4-5H2,1-3H3,(H,19,21)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126794
PNG
(US8785489, N-(3-furylmethyl)-1-methyl-5-[2-(3-meth...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccoc1
Show InChI InChI=1S/C21H18N6O3/c1-12-23-21(30-26-12)18-8-15-7-14(3-4-16(15)24-18)19-9-17(25-27(19)2)20(28)22-10-13-5-6-29-11-13/h3-9,11,24H,10H2,1-2H3,(H,22,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126798
PNG
(US8785489, 4-[({[5-(2-cyano-1H-indol-5-yl)-1-methy...)
Show SMILES Cn1nc(cc1-c1ccc2[nH]c(cc2c1)C#N)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H17N5O3/c1-27-20(15-6-7-18-16(8-15)9-17(11-23)25-18)10-19(26-27)21(28)24-12-13-2-4-14(5-3-13)22(29)30/h2-10,25H,12H2,1H3,(H,24,28)(H,29,30)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126801
PNG
(US8785489, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[5-...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H22N6O2/c1-12-18(25-19(22-12)21(28)27-8-4-3-5-9-27)14-6-7-16-15(10-14)11-17(24-16)20-23-13(2)26-29-20/h6-7,10-11,24H,3-5,8-9H2,1-2H3,(H,22,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126804
PNG
(US8785489, ethyl 5-{2-[(pyridin-4-ylmethyl)carbamo...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)-c1ccnc(c1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C23H20N4O3/c1-2-30-23(29)21-13-18-11-16(3-4-19(18)27-21)17-7-10-25-20(12-17)22(28)26-14-15-5-8-24-9-6-15/h3-13,27H,2,14H2,1H3,(H,26,28)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126808
PNG
(US8785489, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[5-...)
Show SMILES Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)N1CCCC1
Show InChI InChI=1S/C20H20N6O2/c1-11-17(24-18(21-11)20(27)26-7-3-4-8-26)13-5-6-15-14(9-13)10-16(23-15)19-22-12(2)25-28-19/h5-6,9-10,23H,3-4,7-8H2,1-2H3,(H,21,24)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair
Matrix metallopeptidase 13 (MMP13)


(Mus musculus (Mouse))
BDBM126813
PNG
(US8785489, methyl 1-methyl-5-[2-(3-methyl-1,2,4-ox...)
Show SMILES COC(=O)c1cc(-c2ccc3[nH]c(cc3c2)-c2nc(C)no2)n(C)n1
Show InChI InChI=1S/C17H15N5O3/c1-9-18-16(25-21-9)13-7-11-6-10(4-5-12(11)19-13)15-8-14(17(23)24-3)20-22(15)2/h4-8,19H,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The EnzoLyte 520 Generic MMP Assay Kit (AnaSpec Inc.) can detect the activity of several MMPs including MMP-1, 2, 3, 7, 8, 9, 13, and 14. This kit us...


US Patent US8785489 (2014)


BindingDB Entry DOI: 10.7270/Q24B300F
More data for this
Ligand-Target Pair