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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50097308'   
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 9


(Homo sapiens (Human))		BDBM50097308
PNG
(CHEMBL287145 | {{2-[carboxymethyl-(2-{carboxymethy...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2cccc(c2)S(N)(=O)=O)CC(O)=O)CC(O)=O)c1
Show InChI InChI=1S/C26H35N7O12S2/c27-46(42,43)20-5-1-3-18(11-20)29-22(34)13-32(16-25(38)39)9-7-31(15-24(36)37)8-10-33(17-26(40)41)14-23(35)30-19-4-2-6-21(12-19)47(28,44)45/h1-6,11-12H,7-10,13-17H2,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H,40,41)(H2,27,42,43)(H2,28,44,45)
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Similars
Article
PubMed
 9.60n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by CO2 hydration stopped flow assay

Bioorg Med Chem Lett 18: 836-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.025
BindingDB Entry DOI: 10.7270/Q2JH3N16
More data for this
Ligand-Target Pair