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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 = 'BDBM50118207'   
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))		BDBM50118207
PNG
(CHEMBL3613284)
Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1
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Similars
Article
PubMed
 135n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay

J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair