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PubMed code 1501233

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Lanosterol synthase


(Homo sapiens)
BDBM50406680
PNG
(CHEMBL322413)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene-lanosterol cyclase in Candida albicans microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50406680
PNG
(CHEMBL322413)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+
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PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50406680
PNG
(CHEMBL322413)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+
PDB

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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene-lanosterol cyclase in pig liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50406680
PNG
(CHEMBL322413)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19+
PDB
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n/an/a 5.00E+3n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene-lanosterol cyclase in Saccharomyces cerevisiae microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50406679
PNG
(CHEMBL102630)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(\C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19-
PDB

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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene cyclase in rat liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50406679
PNG
(CHEMBL102630)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(\C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19-
PDB
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene cyclase in Candida albicans microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens)
BDBM50406679
PNG
(CHEMBL102630)
Show SMILES CN(CCCC=C(C)CC\C=C(/C)CCC=C(C)C)CC\C=C(\C)CCC1OC1(C)C
Show InChI InChI=1S/C29H51NO/c1-24(2)14-11-16-26(4)18-12-17-25(3)15-9-10-22-30(8)23-13-19-27(5)20-21-28-29(6,7)31-28/h14-15,18-19,28H,9-13,16-17,20-23H2,1-8H3/b25-15+,26-18+,27-19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Istituto di Chimica Farmaceutica Applicata

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of microsomal 2,3-oxidosqualene cyclase in Saccharomyces cerevisiae microsomes


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%