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BDBM50117676 CHEMBL3613779

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1

InChI Key: InChIKey=VUKZKNAWALGCHU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50117676   
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 7


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
PDB
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KEGG

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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


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


Eur J Med Chem 102: 223-32 (2015)


BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
PDB
MMDB

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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
PDB

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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 102: 223-32 (2015)


BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50117676
PNG
(CHEMBL3613779)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C16H16N2O4S/c17-23(21,22)15-5-2-11(3-6-15)16(20)18-8-7-12-9-14(19)4-1-13(12)10-18/h1-6,9,19H,7-8,10H2,(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
186n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


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


Eur J Med Chem 102: 223-32 (2015)


BindingDB Entry DOI: 10.7270/Q29888T8
More data for this
Ligand-Target Pair