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12 similar compounds to monomer 50305844

Compile data set for download or QSAR
Wt: 432.4
BDBM50305829
Wt: 432.4
BDBM50305830
Wt: 444.4
BDBM50305832
Wt: 444.4
BDBM50305833
Wt: 448.8
BDBM50305834
Wt: 448.8
BDBM50305835
Wt: 428.4
BDBM50305837
Wt: 446.4
BDBM50305838
Wt: 446.4
BDBM50305839
Wt: 464.4
BDBM50305840
Wt: 458.4
BDBM50305843
Wt: 496.4
BDBM50305845

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50305829,50305830,50305832,50305833,50305834,50305835,50305837,50305838,50305839,50305840,50305843,50305845   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50305833
PNG
(4-((5-(2-(3-methoxybenzylcarbamoyl)pyridin-4-yl)-2...)
Show SMILES COc1cccc(CNC(=O)c2cc(ccn2)-c2nnn(Cc3ccc(cc3)C(O)=O)n2)c1
Show InChI InChI=1S/C23H20N6O4/c1-33-19-4-2-3-16(11-19)13-25-22(30)20-12-18(9-10-24-20)21-26-28-29(27-21)14-15-5-7-17(8-6-15)23(31)32/h2-12H,13-14H2,1H3,(H,25,30)(H,31,32)
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305845
PNG
(4-((5-(2-methyl-6-(3-(trifluoromethyl)benzylcarbam...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1cccc(c1)C(F)(F)F)-c1nnn(Cc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C24H19F3N6O3/c1-14-9-18(21-30-32-33(31-21)13-15-5-7-17(8-6-15)23(35)36)11-20(29-14)22(34)28-12-16-3-2-4-19(10-16)24(25,26)27/h2-11H,12-13H2,1H3,(H,28,34)(H,35,36)
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2.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305840
PNG
(4-((5-(2-(3,4-difluorobenzylcarbamoyl)-6-methylpyr...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)c(F)c1)-c1nnn(Cc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C23H18F2N6O3/c1-13-8-17(10-20(27-13)22(32)26-11-15-4-7-18(24)19(25)9-15)21-28-30-31(29-21)12-14-2-5-16(6-3-14)23(33)34/h2-10H,11-12H2,1H3,(H,26,32)(H,33,34)
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305843
PNG
(4-((5-(2-(4-methoxybenzylcarbamoyl)-6-methylpyridi...)
Show SMILES COc1ccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(Cc3ccc(cc3)C(O)=O)n2)cc1
Show InChI InChI=1S/C24H22N6O4/c1-15-11-19(12-21(26-15)23(31)25-13-16-5-9-20(34-2)10-6-16)22-27-29-30(28-22)14-17-3-7-18(8-4-17)24(32)33/h3-12H,13-14H2,1-2H3,(H,25,31)(H,32,33)
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4.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305838
PNG
(4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccc(F)cc1)-c1nnn(Cc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C23H19FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15-4-8-19(24)9-5-15)21-27-29-30(28-21)13-16-2-6-17(7-3-16)23(32)33/h2-11H,12-13H2,1H3,(H,25,31)(H,32,33)
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5.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305835
PNG
(4-((5-(2-(3-chlorobenzylcarbamoyl)pyridin-4-yl)-2H...)
Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C22H17ClN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305837
PNG
(4-((5-(2-(benzylcarbamoyl)-6-methylpyridin-4-yl)-2...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1ccccc1)-c1nnn(Cc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C23H20N6O3/c1-15-11-19(12-20(25-15)22(30)24-13-16-5-3-2-4-6-16)21-26-28-29(27-21)14-17-7-9-18(10-8-17)23(31)32/h2-12H,13-14H2,1H3,(H,24,30)(H,31,32)
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305839
PNG
(4-((5-(2-(3-fluorobenzylcarbamoyl)-6-methylpyridin...)
Show SMILES Cc1cc(cc(n1)C(=O)NCc1cccc(F)c1)-c1nnn(Cc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C23H19FN6O3/c1-14-9-18(11-20(26-14)22(31)25-12-16-3-2-4-19(24)10-16)21-27-29-30(28-21)13-15-5-7-17(8-6-15)23(32)33/h2-11H,12-13H2,1H3,(H,25,31)(H,32,33)
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305832
PNG
(4-((5-(2-(4-methoxybenzylcarbamoyl)pyridin-4-yl)-2...)
Show SMILES COc1ccc(CNC(=O)c2cc(ccn2)-c2nnn(Cc3ccc(cc3)C(O)=O)n2)cc1
Show InChI InChI=1S/C23H20N6O4/c1-33-19-8-4-15(5-9-19)13-25-22(30)20-12-18(10-11-24-20)21-26-28-29(27-21)14-16-2-6-17(7-3-16)23(31)32/h2-12H,13-14H2,1H3,(H,25,30)(H,31,32)
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37n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305829
PNG
(4-((5-(2-(4-fluorobenzylcarbamoyl)pyridin-4-yl)-2H...)
Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H17FN6O3/c23-18-7-3-14(4-8-18)12-25-21(30)19-11-17(9-10-24-19)20-26-28-29(27-20)13-15-1-5-16(6-2-15)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
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65n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50305830
PNG
(4-((5-(2-(3-fluorobenzylcarbamoyl)pyridin-4-yl)-2H...)
Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2cccc(F)c2)cc1
Show InChI InChI=1S/C22H17FN6O3/c23-18-3-1-2-15(10-18)12-25-21(30)19-11-17(8-9-24-19)20-26-28-29(27-20)13-14-4-6-16(7-5-14)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
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76n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50305834
PNG
(4-((5-(2-(4-chlorobenzylcarbamoyl)pyridin-4-yl)-2H...)
Show SMILES OC(=O)c1ccc(Cn2nnc(n2)-c2ccnc(c2)C(=O)NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H17ClN6O3/c23-18-7-3-14(4-8-18)12-25-21(30)19-11-17(9-10-24-19)20-26-28-29(27-20)13-15-1-5-16(6-2-15)22(31)32/h1-11H,12-13H2,(H,25,30)(H,31,32)
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227n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs


Bioorg Med Chem Lett 20: 576-80 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.081
BindingDB Entry DOI: 10.7270/Q2JS9QHB
More data for this
Ligand-Target Pair