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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 = 'BDBM50424252'   
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))		BDBM50424252
PNG
(CHEMBL2314151)
Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2ccc(cc2)S([#7])(=O)=O)c(-[#6](-[#8])=O)c1-c1ccccc1)\[#6](-[#6])=O
Show InChI InChI=1S/C28H24N6O7S/c1-16(35)24(17(2)36)32-31-20-9-6-10-21(15-20)34-26(18-7-4-3-5-8-18)23(28(38)39)25(33-34)27(37)30-19-11-13-22(14-12-19)42(29,40)41/h3-15,31H,1-2H3,(H,30,37)(H,38,39)(H2,29,40,41)
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Article
PubMed
 448n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis

Bioorg Med Chem 21: 21-7 (2012)


Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR
More data for this
Ligand-Target Pair