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PubMed code 1404239

Compile data set for download or QSAR
Found 8 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


(Rattus norvegicus)
BDBM50003025
PNG
(1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...)
Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 110n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003026
PNG
(1-(6-Hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2...)
Show SMILES CCCCCCCCCCCC(=S)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NOS/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003032
PNG
((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...)
Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 550n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003027
PNG
((4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-d...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H47NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h18-23,26H,7-17H2,1-6H3/t19?,20?,21-,22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003030
PNG
((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
PDB

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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003028
PNG
(2-(Dodecane-1-sulfinyl)-5,8a-dimethyl-decahydro-is...)
Show SMILES CCCCCCCCCCCCS(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H45NO2S/c1-4-5-6-7-8-9-10-11-12-13-18-27(26)24-17-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+,27?/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003031
PNG
(1-(6-Hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2...)
Show SMILES C[C@@H]1[C@@H](O)CC[C@]2(C)CN(CC[C@@H]12)C(C)=O
Show InChI InChI=1S/C13H23NO2/c1-9-11-5-7-14(10(2)15)8-13(11,3)6-4-12(9)16/h9,11-12,16H,4-8H2,1-3H3/t9-,11-,12-,13+/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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


(Rattus norvegicus)
BDBM50003029
PNG
(2-(Dodecane-1-sulfonyl)-5,8a-dimethyl-decahydro-is...)
Show SMILES CCCCCCCCCCCCS(=O)(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-18-28(26,27)24-17-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


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