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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 = 'BDBM50065654'   
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))
BDBM50065654
PNG
(CHEMBL3402841)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19|
Show InChI InChI=1S/C18H18O3S/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-22(19,20)21-17/h4-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.10n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem 23: 1430-6 (2015)


Article DOI: 10.1016/j.bmc.2015.02.023
BindingDB Entry DOI: 10.7270/Q2W66NFQ
More data for this
Ligand-Target Pair