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BDBM50351135 CHEMBL1817905

SMILES: NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1

InChI Key: InChIKey=LSGFTSBIQPBMDX-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 = 50351135   
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 12


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
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MMDB

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Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
PDB
MMDB

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18.3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
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Article
PubMed
98.3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
PDB

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Article
PubMed
98.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned full length carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50351135
PNG
(CHEMBL1817905)
Show SMILES NS(=O)(=O)c1cnccc1-n1ccc(=O)cc1
Show InChI InChI=1S/C10H9N3O3S/c11-17(15,16)10-7-12-4-1-9(10)13-5-2-8(14)3-6-13/h1-7H,(H2,11,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.12E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 46: 4403-10 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.011
BindingDB Entry DOI: 10.7270/Q2RF5VDJ
More data for this
Ligand-Target Pair