BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=GNCCTDKUYQRHGJ-LURJTMIESA-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 = 50428797   
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))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.38E+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))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.45E+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))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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