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BDBM50208347 CHEMBL229072::N-(2-(2,5-dioxoimidazolidin-4-yl)phenyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

SMILES: Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1

InChI Key: InChIKey=VOBFYBKSOTYYNL-UHFFFAOYSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50208347   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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782n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP12


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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>5.03E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to MMP7


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50208347
PNG
(CHEMBL229072 | N-(2-(2,5-dioxoimidazolidin-4-yl)ph...)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)Nc2ccccc2-c2[nH]c(=O)[nH]c2O)c2ccccc2n1
Show InChI InChI=1S/C27H22N4O4/c1-16-14-18(20-6-2-4-8-22(20)28-16)15-35-19-12-10-17(11-13-19)25(32)29-23-9-5-3-7-21(23)24-26(33)31-27(34)30-24/h2-14,33H,15H2,1H3,(H,29,32)(H2,30,31,34)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of pTACE


Bioorg Med Chem Lett 17: 2769-74 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.076
BindingDB Entry DOI: 10.7270/Q2ZC82J4
More data for this
Ligand-Target Pair