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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 = 'BDBM50205566'   
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))		BDBM50205566
PNG
(CHEMBL3947267)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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Article
PubMed
 308n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair