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SMILES: O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1

InChI Key: InChIKey=DOQSCHLSVSXYAQ-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 8 hits for monomerid = 50532434   
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 2


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
MMDB

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184n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
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184n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
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223n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
MMDB

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223n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic site preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
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910n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
MMDB

Reactome pathway
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PC sid
UniChem
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910n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
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UniChem
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50532434
PNG
(CHEMBL4460933)
Show SMILES O=C(Nc1cccc2c1C(=O)NS2(=O)=O)c1ccccc1
Show InChI InChI=1S/C14H10N2O4S/c17-13(9-5-2-1-3-6-9)15-10-7-4-8-11-12(10)14(18)16-21(11,19)20/h1-8H,(H,15,17)(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


J Med Chem 59: 6547-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00616
More data for this
Ligand-Target Pair