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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50279658   
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)
BDBM50279658
PNG
(CHEMBL4164241)
Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)
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Article
PubMed
86n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibition of Candida glabrata Nce103 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


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50279658
PNG
(CHEMBL4164241)
Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)
PDB
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UniChem

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Article
PubMed
89n/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 1


(Homo sapiens (Human))
BDBM50279658
PNG
(CHEMBL4164241)
Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)
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PubMed
514n/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 2


(Homo sapiens (Human))
BDBM50279658
PNG
(CHEMBL4164241)
Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)
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1.25E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 30 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydr...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00403
BindingDB Entry DOI: 10.7270/Q24171SK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50279658
PNG
(CHEMBL4164241)
Show SMILES COc1ccc(NC(=S)Nc2ccc3COB(O)c3c2)cc1
Show InChI InChI=1S/C15H15BN2O3S/c1-20-13-6-4-11(5-7-13)17-15(22)18-12-3-2-10-9-21-16(19)14(10)8-12/h2-8,19H,9H2,1H3,(H2,17,18,22)
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
1.25E+3n/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