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BDBM50292680 (1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-4-yl)methoxy)benzyl)cyclopropanecarboxamide::CHEMBL497769

SMILES: ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N

InChI Key: InChIKey=PIRLKANLMCDQSE-UFHPHHKVSA-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 = 50292680   
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
ADAM17


(Homo sapiens (Human))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/m1/s1
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4n/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))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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 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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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 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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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 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
Stromelysin-1


(Homo sapiens (Human))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N |r|
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/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