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BDBM50366036 CHEMBL1956578

SMILES: Cc1cc(C)o\c(c1)=N\O

InChI Key: InChIKey=RGIHLYZDGZKVDV-BQYQJAHWSA-N

Data: 12 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 12 hits for monomerid = 50366036   
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 6 (CA-VI)


(Homo sapiens (Human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
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47n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB

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PC sid
UniChem
Article
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50366036
PNG
(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
PDB
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>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration method


Bioorg Med Chem Lett 22: 2182-5 (2012)

More data for this
Ligand-Target Pair