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BDBM50033819 CHEMBL3358153

SMILES: Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1

InChI Key: InChIKey=KDEHHSHGVKUYEZ-TWYLJJHKNA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50033819   
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 3.50E+3n/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
ADAM17


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 5.40E+3n/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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 12n/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
Collagenase


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 720n/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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 420n/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))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 2.10E+3n/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))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 3.00E+3n/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))
BDBM50033819
PNG
(CHEMBL3358153)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC[C@]1(NC(=O)NC1=O)c1ccccc1 |r|
Show InChI InChI=1/C19H14ClN3O4/c20-13-6-7-14-11(8-13)9-15(27-14)16(24)21-10-19(12-4-2-1-3-5-12)17(25)22-18(26)23-19/h1-9H,10H2,(H,21,24)(H2,22,23,25,26)/t19-/s2
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n/an/a 22n/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