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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 = 'BDBM50256788'   
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))		BDBM50256788
PNG
(CHEMBL4068637)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C25H21N3O7S/c1-14-2-9-21(20(12-14)25(32)33)27-22(29)16-5-8-18-19(13-16)24(31)28(23(18)30)11-10-15-3-6-17(7-4-15)36(26,34)35/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,32,33)(H2,26,34,35)
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Similars
Article
PubMed
 25n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay

Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair