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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50205568'   
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 2


(Homo sapiens (Human))		BDBM50205568
PNG
(CHEMBL3937384)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)
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MMDB

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Similars
Article
PubMed
 62n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair