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BDBM50033804 CHEMBL3358154

SMILES: Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O

InChI Key: InChIKey=WIKRDIGSYVQGTH-TWYLJJHKNA-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 = 50033804   
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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 3.10E+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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 1.80E+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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 17n/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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 2.00E+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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 1.70E+3n/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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/s2
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n/an/a 6.10E+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))
BDBM50033804
PNG
(CHEMBL3358154)
Show SMILES Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C19H15ClN4O4/c1-10-3-2-6-21-15(10)19(17(26)23-18(27)24-19)9-22-16(25)14-8-11-7-12(20)4-5-13(11)28-14/h2-8H,9H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/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