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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 = 'BDBM246505'   
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))		BDBM246505
PNG
(1-Phenyl-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5...)
Show SMILES CN1C(C2=C(CC(C)(C)CC2=O)N(C)C1=O)c1ccc(NC(=O)Nc2ccccc2)cc1 |t:3|
Show InChI InChI=1S/C25H28N4O3/c1-25(2)14-19-21(20(30)15-25)22(29(4)24(32)28(19)3)16-10-12-18(13-11-16)27-23(31)26-17-8-6-5-7-9-17/h5-13,22H,14-15H2,1-4H3,(H2,26,27,31)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+5n/an/an/an/an/an/a



Sakarya University



Assay Description
For the inhibition studies of sulphanilamide, different concentrationsof these compounds were added to the enzyme. Activity percentage values of CA f...

J Enzyme Inhib Med Chem 29: 18-22 (2014)


Article DOI: 10.3109/14756366.2012.746972
BindingDB Entry DOI: 10.7270/Q28S4NVM
More data for this
Ligand-Target Pair