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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 = 'BDBM50080146'   
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))
BDBM50080146
PNG
(CHEMBL3416242)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)N2C(=O)\C(=C\c3coc4ccccc4c3=O)N=C2c2ccccc2)no1 |c:33|
Show InChI InChI=1S/C29H20N4O6S/c1-18-15-26(31-39-18)32-40(36,37)22-13-11-21(12-14-22)33-28(19-7-3-2-4-8-19)30-24(29(33)35)16-20-17-38-25-10-6-5-9-23(25)27(20)34/h2-17H,1H3,(H,31,32)/b24-16-
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair