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SMILES: COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C

InChI Key: InChIKey=SFKPFAMBJXUDLI-UWVGGRQHSA-N

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 = 50428801   
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 14


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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7.97E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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7.30E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
BindingDB Entry DOI: 10.7270/Q2CV4K23
More data for this
Ligand-Target Pair