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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50279669'   
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


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50279669
PNG
(CHEMBL4167266)
Show SMILES Nc1ccc2COB(O)c2c1
Show InChI InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


ACS Med Chem Lett 8: 1194-1198 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00369
BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida glabrata)
BDBM50279669
PNG
(CHEMBL4167266)
Show SMILES Nc1ccc2COB(O)c2c1
Show InChI InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
244n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of dihydrofolate reductase from L1210 mouse leukemia cells


ACS Med Chem Lett 8: 1194-1198 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00369
BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair