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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50279663'   
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


(Candida glabrata)
BDBM50279663
PNG
(CHEMBL4174497)
Show SMILES Cc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O2S/c1-10-2-5-12(6-3-10)17-15(21)18-13-7-4-11-9-20-16(19)14(11)8-13/h2-8,19H,9H2,1H3,(H2,17,18,21)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR)


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


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50279663
PNG
(CHEMBL4174497)
Show SMILES Cc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O2S/c1-10-2-5-12(6-3-10)17-15(21)18-13-7-4-11-9-20-16(19)14(11)8-13/h2-8,19H,9H2,1H3,(H2,17,18,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
181n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR)


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