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BDBM50114859 CHEMBL3608871

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1

InChI Key: InChIKey=MGDZQOHHFLKMNE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50114859   
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))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
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MMDB

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0.0100n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


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


Eur J Med Chem 101: 334-47 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
PDB
MMDB

NCI pathway
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UniChem
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3.20n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
PDB
MMDB

NCI pathway
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UniChem
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4.80n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


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


Eur J Med Chem 101: 334-47 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50114859
PNG
(CHEMBL3608871)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
Show InChI InChI=1S/C12H12N2O3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2,(H2,13,15,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
PubMed
6.20n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


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


Eur J Med Chem 101: 334-47 (2015)

More data for this
Ligand-Target Pair