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BDBM50167489 5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-trione::CHEMBL373311

SMILES: CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=LAHYEFDNWASMJY-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50167489   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50167489
PNG
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)
Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23)
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Article
PubMed
600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against matrix metalloprotease 2


Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50167489
PNG
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)
Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23)
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PubMed
>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against matrix metalloprotease 9


Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50167489
PNG
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)
Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23)
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PubMed
4.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against matrix metalloprotease 13


Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50167489
PNG
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)
Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23)
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PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against matrix metalloprotease 1


Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50167489
PNG
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)
Show SMILES CC1(C(=O)NC(=O)NC1=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme


Bioorg Med Chem Lett 15: 2970-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B
More data for this
Ligand-Target Pair