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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM12934'   
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 12


(Homo sapiens (Human))		BDBM12934
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H27N5O12S/c1-11(29)37-17-18(38-12(2)30)20(23(33)36-4)40-22(19(17)39-13(3)31)28-10-15(26-27-28)9-25-21(32)14-5-7-16(8-6-14)41(24,34)35/h5-8,10,17-20,22H,9H2,1-4H3,(H,25,32)(H2,24,34,35)/t17-,18-,19+,20-,22+/m0/s1
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Article
PubMed
 8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay

Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
BindingDB Entry DOI: 10.7270/Q2JD4XMG
More data for this
Ligand-Target Pair