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PubMed code 11514173

Compile data set for download or QSAR
Found 4 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)		BDBM50095601
PNG
(CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)|
Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2
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n/an/a 58n/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)		BDBM50095599
PNG
(CHEMBL25285 | {4-[4-(4,5-Dihydro-oxazol-2-yl)-benz...)
Show SMILES FC(F)(F)c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:28|
Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
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n/an/a 90n/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)		BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
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n/an/a 116n/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

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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
* indicates data uncertainty>20%