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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM193741'   
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 1


(Homo sapiens (Human))
BDBM193741
PNG
(Ethyl 3-oxo-3-phenyl-2-(2-(3-(5-phenyl-3,4-bis((5-...)
Show SMILES CCOC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)\C(=O)c1ccccc1
Show InChI InChI=1S/C32H26N12O9S4/c1-2-53-28(48)23(25(45)18-12-7-4-8-13-18)38-37-19-14-9-15-20(16-19)44-24(17-10-5-3-6-11-17)21(26(46)35-29-39-41-31(54-29)56(33,49)50)22(43-44)27(47)36-30-40-42-32(55-30)57(34,51)52/h3-16,37H,2H2,1H3,(H2,33,49,50)(H2,34,51,52)(H,35,39,46)(H,36,40,47)/b38-23-
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
487n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...


Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair