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1 similar compounds to monomer 50033806

Compile data set for download or QSAR
Wt: 421.3
BDBM50033808

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50033808   
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))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human TACE using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 using Mca-PQG1 peptide substrate assessed as substrate cleavage after 2 to 4 hrs


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033808
PNG
(CHEMBL3358158)
Show SMILES Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(ccc3o2)C(F)(F)F)NC(=O)NC1=O
Show InChI InChI=1S/C18H14F3N5O4/c1-26-5-4-22-14(26)17(15(28)24-16(29)25-17)8-23-13(27)12-7-9-6-10(18(19,20)21)2-3-11(9)30-12/h2-7H,8H2,1H3,(H,23,27)(H2,24,25,28,29)/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair