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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50158519   
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)
BDBM50158519
PNG
(CHEMBL3787255)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)25-9-3-6-12-11(7-9)13(14(22)21-12)20-8-1-4-10(5-2-8)26(19,23)24/h1-7H,(H2,19,23,24)(H,20,21,22)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM50158519
PNG
(CHEMBL3787255)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)25-9-3-6-12-11(7-9)13(14(22)21-12)20-8-1-4-10(5-2-8)26(19,23)24/h1-7H,(H2,19,23,24)(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50158519
PNG
(CHEMBL3787255)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)25-9-3-6-12-11(7-9)13(14(22)21-12)20-8-1-4-10(5-2-8)26(19,23)24/h1-7H,(H2,19,23,24)(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
236n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50158519
PNG
(CHEMBL3787255)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(OC(F)(F)F)cc12
Show InChI InChI=1S/C15H10F3N3O4S/c16-15(17,18)25-9-3-6-12-11(7-9)13(14(22)21-12)20-8-1-4-10(5-2-8)26(19,23)24/h1-7H,(H2,19,23,24)(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
295n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair