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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 = 'BDBM50130748'   
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))		BDBM50130748
PNG
(CHEMBL3633380)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33)
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Similars
Article
PubMed
 66n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay

Eur J Med Chem 103: 583-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.021
BindingDB Entry DOI: 10.7270/Q2HH6MX8
More data for this
Ligand-Target Pair