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SMILES: CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1

InChI Key: InChIKey=JFMSSTVXWKCAJH-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 = 50109616   
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-9


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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MMDB

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7n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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7.80n/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))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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10.7n/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 17


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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13.7n/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
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
UniProtKB/SwissProt

antibodypedia
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PC cid
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n/an/a 560n/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