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BDBM50428810 BUTYL(BUTYLSULFAMOYL)AMINE

SMILES: CCCCNS(=O)(=O)NCCCC

InChI Key: InChIKey=FLJVRWOWKXUFRB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50428810   
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 7


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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Article
PubMed
410n/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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
PDB
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PC sid
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Article
PubMed
690n/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 1


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
PDB
MMDB

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Article
PubMed
6.64E+3n/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 14


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
9.79E+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 2


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
PDB
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Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
6.63E+4n/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