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SMILES: CCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=DQKSIWDBRCCINU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50242152   
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))
BDBM50242152
PNG
(CHEMBL4091686)
Show SMILES CCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H9NO3S/c1-2-10-9(11)7-5-3-4-6-8(7)14(10,12)13/h3-6H,2H2,1H3
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Article
PubMed
45n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by st...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50242152
PNG
(CHEMBL4091686)
Show SMILES CCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H9NO3S/c1-2-10-9(11)7-5-3-4-6-8(7)14(10,12)13/h3-6H,2H2,1H3
PDB
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Article
PubMed
236n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50242152
PNG
(CHEMBL4091686)
Show SMILES CCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H9NO3S/c1-2-10-9(11)7-5-3-4-6-8(7)14(10,12)13/h3-6H,2H2,1H3
PDB
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>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of [125]I-Bolton Hunter Substance P([125]I-BHSP) binding to standard Tachykinin receptor 1 from rat forebrain membranes.


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50242152
PNG
(CHEMBL4091686)
Show SMILES CCN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H9NO3S/c1-2-10-9(11)7-5-3-4-6-8(7)14(10,12)13/h3-6H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair