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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.4
BDBM50095596

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 (Human))
BDBM50095596
PNG
(CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
PDB
MMDB

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n/an/a 161n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against human OSC enzyme


J Med Chem 43: 4964-72 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GX6
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095596
PNG
(CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
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PC sid
UniChem

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PubMed
n/an/a 228n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)


BindingDB Entry DOI: 10.7270/Q27080Q7
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095596
PNG
(CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 228n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)


J Med Chem 43: 4964-72 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GX6
More data for this
Ligand-Target Pair