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SMILES: CCCCNS(=O)(=O)NCCC(=O)OC

InChI Key: InChIKey=NRNRKBIWJKWFIM-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 5 hits for monomerid = 50428800   
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))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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Article
PubMed
8.37E+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))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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Article
PubMed
6.12E+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))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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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))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
PDB
MMDB

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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))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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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