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BDBM50382713 CHEMBL2021946

SMILES: [S-]C(=S)N1CCCC1

InChI Key: InChIKey=VSWDORGPIHIGNW-UHFFFAOYSA-M

Data: 6 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 6 hits for monomerid = 50382713   
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


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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PubMed
0.960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2, isoform A


(Drosophila melanogaster)
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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4.70n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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Article
PubMed
46n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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Article
PubMed
70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Drosophila melanogaster)
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
Reactome pathway
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CHEMBL
PC cid
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Article
PubMed
135n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair