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BDBM50370987 TAVABOROLE

SMILES: OB1OCc2cc(F)ccc12

InChI Key: InChIKey=LFQDNHWZDQTITF-UHFFFAOYSA-N

Data: 6 KI  1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50370987   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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PC cid
PC sid
UniChem
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair
Carbonic Anhydrase 2 (Can2)


(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
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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
MMDB

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UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem
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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)


BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, 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
KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
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


(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
MMDB

NCI pathway
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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)


BindingDB Entry DOI: 10.7270/Q2SN0CHK
More data for this
Ligand-Target Pair
Leucyl-tRNA synthetase, 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
KEGG

UniProtKB/SwissProt

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DrugBank
PC cid
PC sid
UniChem
Article
PubMed
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
Leucyl-tRNA synthetase, 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
KEGG

UniProtKB/SwissProt

GoogleScholar
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DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase assessed as tRNA amino-acylation


Science 316: 1759-1761 (2007)


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

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.08E+4n/an/an/an/an/a



Anacor Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase in presence of AMP


Science 316: 1759-1761 (2007)


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