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BDBM50366035 CHEMBL1956579

SMILES: O\N=c1\ccc2ccccc2o1

InChI Key: InChIKey=QIRWWZNGZWYHHM-KTKRTIGZSA-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 = 50366035   
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


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
MMDB

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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 XIV


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
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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 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 6 (CA-VI)


(Homo sapiens (Human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
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41n/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 VA


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
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49n/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 12


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
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54n/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 9


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
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58n/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 VB


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
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58n/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 13 (CA XIII)


(Homo sapiens (Human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB

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94n/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 III


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
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480n/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 4


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
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750n/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))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
PDB
MMDB

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840n/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 2


(Homo sapiens (human))
BDBM50366035
PNG
(CHEMBL1956579)
Show SMILES O\N=c1\ccc2ccccc2o1
Show InChI InChI=1S/C9H7NO2/c11-10-9-6-5-7-3-1-2-4-8(7)12-9/h1-6,11H/b10-9-
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