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SMILES: ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O

InChI Key: InChIKey=SWOIHXOGQYPPNC-GFCCVEGCSA-N

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 = 50216790   
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


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP14


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human procollagen C-proteinase expressed in CHO cells


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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PubMed
n/an/a 4.96E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50216790
PNG
((3R)-6-cyclohexyl-3-[3-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1c[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C18H25N5O5/c24-14(22-27)9-12(8-4-7-11-5-2-1-3-6-11)17-20-15(23-28-17)13-10-19-18(26)21-16(13)25/h10-12,27H,1-9H2,(H,22,24)(H2,19,21,25,26)/t12-/m1/s1
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Article
PubMed
n/an/a 7.96E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 50: 3442-56 (2007)


Article DOI: 10.1021/jm061010z
BindingDB Entry DOI: 10.7270/Q2W66KGB
More data for this
Ligand-Target Pair