BDBM11051 N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-3-sulfanylpropanamide::reduced thio H4::rreduced monomeric thio of compound 4

SMILES Cn1nc(sc1=NC(=O)CCS)S(N)(=O)=O

InChI Key InChIKey=PVJPCHXFBKNZDX-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 11051   

TargetCarbonic anhydrase 9(Human)
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11051(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Affinity DataKi:  3.20nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2006
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11051(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Affinity DataKi:  9.30nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2006
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Istituto Di Biostrutture E Bioimmagini-Cnr

LigandPNGBDBM11051(N-[(2E)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thi...)
Affinity DataKi:  9.5nM ΔG°:  -10.8kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2006
Entry Details Article
PubMed