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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM50180263'   
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 7


(Homo sapiens (Human))		BDBM50180263
PNG
(CHEMBL3814420)
Show SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:18,t:9|
Show InChI InChI=1S/C29H27N5O5S2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)19-14-12-18(13-15-19)27(37)31-28-32-33-29(40-28)41(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)
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 8.10n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay

Bioorg Med Chem 24: 3548-55 (2016)


Article DOI: 10.1016/j.bmc.2016.05.064
BindingDB Entry DOI: 10.7270/Q2N29ZVD
More data for this
Ligand-Target Pair