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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50248710'   
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 9


(Homo sapiens (Human))		BDBM50248710
PNG
(CHEMBL4070358)
Show SMILES COc1cc(OC)c(\C=C\C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1OC |r|
Show InChI InChI=1S/C25H32N4O10S2/c1-36-16-11-18(38-3)17(37-2)10-13(16)4-9-20(31)28-21-23(33)22(32)19(12-30)39-24(21)29-25(40)27-14-5-7-15(8-6-14)41(26,34)35/h4-11,19,21-24,30,32-33H,12H2,1-3H3,(H,28,31)(H2,26,34,35)(H2,27,29,40)/b9-4+/t19-,21-,22-,23-,24-/m1/s1
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Similars
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 using 4-nitrophenylacetate as substrate pretreated for 15 mins prior to test by spectrophotometr...

Eur J Med Chem 132: 1-10 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.023
BindingDB Entry DOI: 10.7270/Q2WS8WNX
More data for this
Ligand-Target Pair