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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50230206'   
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


(Homo sapiens (Human))
BDBM50230206
PNG
(CHEMBL4094868)
Show SMILES O=C(NCCOc1ccc2ccc(=O)oc2c1)C1CCn2c1ccc2C(=O)c1ccccc1
Show InChI InChI=1/C26H22N2O5/c29-24-11-7-17-6-8-19(16-23(17)33-24)32-15-13-27-26(31)20-12-14-28-21(20)9-10-22(28)25(30)18-4-2-1-3-5-18/h1-11,16,20H,12-15H2,(H,27,31)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
>100n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 60: 1159-1170 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX
More data for this
Ligand-Target Pair