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BDBM50292683 (1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenylquinolin-4-yl)methoxy)benzyl)cyclopropanecarboxylate::CHEMBL495555

SMILES: CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO

InChI Key: InChIKey=OKNJOSGDEWUQIH-RNAHPLFWSA-N

Data: 7 KI

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 = 50292683   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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12n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair