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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase IV' and Ligand = 'BDBM50108585'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50108585
PNG
(3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1 |c:23,TLB:26:25:23.24:21,THB:17:19:23.24:21|
Show InChI InChI=1S/C17H17N5O7S3/c18-31(26,27)17-21-20-16(30-17)22-32(28,29)11-5-3-10(4-6-11)19-14(23)12-8-1-2-9(7-8)13(12)15(24)25/h1-6,8-9,12-13H,7H2,(H,19,23)(H,20,22)(H,24,25)(H2,18,26,27)/t8?,9?,12-,13?/m1/s1
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PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)

More data for this
Ligand-Target Pair