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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 = 'BDBM50209224'   
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))		BDBM50209224
PNG
(CHEMBL3885126)
Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1 |r|
Show InChI InChI=1S/C23H22N2O5S/c1-29-17-10-13-19(20(14-17)30-2)22-21(15-6-4-3-5-7-15)23(26)25(22)16-8-11-18(12-9-16)31(24,27)28/h3-14,21-22H,1-2H3,(H2,24,27,28)/t21-,22-/m0/s1
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Similars
Article
PubMed
 5.60n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay

Bioorg Med Chem 25: 539-544 (2017)


Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ
More data for this
Ligand-Target Pair