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SMILES: CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1

InChI Key: InChIKey=XRIFBRFEZLXEFP-UHFFFAOYSA-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 5 hits for monomerid = 50109623   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
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58.8n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human collagenase-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
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162n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP-3)(stromelysin-1).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
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n/an/a 660n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
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75.8n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against tumor necrosis factor alpha converting enzyme (TACE) from human acute monocytic leukemia cell line.


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
PDB
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95.6n/an/an/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B).


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair