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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50339589   
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


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
850n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair
Beta-carbonic anhydrase 1


(Mycobacterium tuberculosis)
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Mycobacterium tuberculosis)
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.12E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
1.31E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50339589
PNG
(2-(3-chloro-4-hydroxyphenyl)acetamide | CHEMBL5921...)
Show SMILES NC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-5(4-8(10)12)1-2-7(6)11/h1-3,11H,4H2,(H2,10,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
2.37E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
BindingDB Entry DOI: 10.7270/Q2NV9JJB
More data for this
Ligand-Target Pair