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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 = 'BDBM50207547'   
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))		BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H14ClF3N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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Similars
Article
PubMed
>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay

Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair