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Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 50370987   
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)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
KEGG

UniProtKB/TrEMBL

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MCE
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Article
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72n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of rat plasma renin at pH of 6.0.


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...)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
PDB
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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 2


(Homo sapiens (Human))
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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462n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 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 2


(Homo sapiens (Human))
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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462n/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
Leucine--tRNA ligase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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1.85E+3n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins


Science 316: 1759-1761 (2007)


Article DOI: 10.1126/science.1142189
BindingDB Entry DOI: 10.7270/Q2P84CQ2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
PDB
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2.02E+3n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 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
Leucine--tRNA ligase, cytoplasmic


(Saccharomyces cerevisiae S288c)
BDBM50370987
PNG
(TAVABOROLE)
Show SMILES OB1OCc2cc(F)ccc12
Show InChI InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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3.14E+4n/an/an/an/an/an/an/an/a



Anacor Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 2 mins


Science 316: 1759-1761 (2007)


Article DOI: 10.1126/science.1142189
BindingDB Entry DOI: 10.7270/Q2P84CQ2
More data for this
Ligand-Target Pair