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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50339597   
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...)
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
720n/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))
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
780n/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
Carbonic anhydrase


(Mycobacterium tuberculosis)
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
980n/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 1


(Homo sapiens (Human))
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.05E+4n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.14E+4n/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
Beta-carbonic anhydrase 1


(Mycobacterium tuberculosis)
BDBM50339597
PNG
(CHEMBL589354 | N-benzyl-2-(3-chloro-4-hydroxypheny...)
Show SMILES Oc1ccc(CC(=O)NCc2ccccc2)cc1Cl
Show InChI InChI=1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.22E+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