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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 = 'BDBM50515519'   
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))		BDBM50515519
PNG
(CHEMBL4475456)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(Cl)cc2C(O)=O)cc1
Show InChI InChI=1S/C24H18ClN3O7S/c25-15-4-8-20(19(12-15)24(32)33)27-21(29)14-3-7-17-18(11-14)23(31)28(22(17)30)10-9-13-1-5-16(6-2-13)36(26,34)35/h1-8,11-12H,9-10H2,(H,27,29)(H,32,33)(H2,26,34,35)
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Article
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 4.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay

Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111573
BindingDB Entry DOI: 10.7270/Q2G1646X
More data for this
Ligand-Target Pair