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BDBM50033807 CHEMBL3358157

SMILES: Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O

InChI Key: InChIKey=SZDCEHDWAAZEPH-AGDOHHJYNA-N

Data: 7 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 7 hits for monomerid = 50033807   
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))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 4.70E+3n/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))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 8.60E+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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/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-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
Stromelysin-1


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 6.40E+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))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 530n/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))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 7.10E+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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033807
PNG
(CHEMBL3358157)
Show SMILES Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C17H14ClN5O4/c1-23-13(4-5-20-23)17(15(25)21-16(26)22-17)8-19-14(24)12-7-9-6-10(18)2-3-11(9)27-12/h2-7H,8H2,1H3,(H,19,24)(H2,21,22,25,26)/t17-/s2
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n/an/a 19n/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