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BDBM50303498 1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azonia-tricyclo[3.3.1.1*3,7*]decane::CHEMBL578167

SMILES: O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1

InChI Key: InChIKey=QWVAIAADSFBBHY-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50303498   
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
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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40n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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93n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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100n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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3.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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5.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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8.20E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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8.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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8.90E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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1.18E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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4.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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4.47E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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6.94E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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7.23E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair