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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 = 'BDBM12938'   
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))		BDBM12938
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(hept...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[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/C36H45N5O20S/c1-16(42)52-14-26-29(61-36-33(58-22(7)48)31(56-20(5)46)28(54-18(3)44)27(60-36)15-53-17(2)43)30(55-19(4)45)32(57-21(6)47)35(59-26)41-13-24(39-40-41)12-38-34(49)23-8-10-25(11-9-23)62(37,50)51/h8-11,13,26-33,35-36H,12,14-15H2,1-7H3,(H,38,49)(H2,37,50,51)/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
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Similars
Article
PubMed
 7.90n/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