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BDBM50114860 CHEMBL3608872

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1

InChI Key: InChIKey=PBBIQBHCBITKSQ-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50114860   
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))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
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PubMed
0.0200n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
PDB
MMDB

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PubMed
6.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
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PubMed
8.70n/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


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50114860
PNG
(CHEMBL3608872)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CCC1
Show InChI InChI=1S/C13H14N2O3S/c14-19(16,17)11-6-4-9(5-7-11)12-8-15-13(18-12)10-2-1-3-10/h4-8,10H,1-3H2,(H2,14,16,17)
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
55n/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


Citation and Details
More data for this
Ligand-Target Pair