new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'prestwich' and Initial = 'gd'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350715
PNG
(CHEMBL1818146)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C21H35FNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)23-19-16-14-18(15-17-19)21(22)28(25,26)27/h14-17,21H,2-13H2,1H3,(H,23,24)(H2,25,26,27)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.10n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350716
PNG
(CHEMBL1818147)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(Br)P(O)([O-])=O
Show InChI InChI=1S/C21H35BrNO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)23-19-16-14-18(15-17-19)21(22)28(25,26)27/h14-17,21H,2-13H2,1H3,(H,23,24)(H2,25,26,27)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.10n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350713
PNG
(CHEMBL1818144)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350717
PNG
(CHEMBL1818148)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C17H28NO4P/c1-2-3-4-5-6-7-8-9-17(19)18-16-12-10-15(11-13-16)14-23(20,21)22/h10-13H,2-9,14H2,1H3,(H,18,19)(H2,20,21,22)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350714
PNG
(CHEMBL1818145)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C21H35NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(23)22-19-16-14-18(15-17-19)21(24)28(25,26)27/h14-17,25-26,28H,2-13H2,1H3,(H,22,23)/q-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350721
PNG
(CHEMBL1818149)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C17H27NO5P/c1-2-3-4-5-6-7-8-9-16(19)18-15-12-10-14(11-13-15)17(20)24(21,22)23/h10-13,21-22,24H,2-9H2,1H3,(H,18,19)/q-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

DrugBank
PubMed
30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Apparent inhibitory constant of the compound against squalene epoxidase


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50193515
PNG
(1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1
Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
60.7n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350718
PNG
(CHEMBL1818150)
Show SMILES CCCCCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C17H27FNO4P/c1-2-3-4-5-6-7-8-9-16(20)19-15-12-10-14(11-13-15)17(18)24(21,22)23/h10-13,17H,2-9H2,1H3,(H,19,20)(H2,21,22,23)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
72n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
314n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50193517
PNG
(3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
403n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055643
PNG
(2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#16]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C29H50OS/c1-23(2)13-9-14-24(3)15-10-16-25(4)18-12-22-31-27(6)19-11-17-26(5)20-21-28-29(7,8)30-28/h13,15,17-18,27-28H,9-12,14,16,19-22H2,1-8H3/b24-15+,25-18+,26-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350719
PNG
(CHEMBL1818151)
Show SMILES CCCCCCC(=O)Nc1ccc(CP(O)([O-])=O)cc1
Show InChI InChI=1S/C14H22NO4P/c1-2-3-4-5-6-14(16)15-13-9-7-12(8-10-13)11-20(17,18)19/h7-10H,2-6,11H2,1H3,(H,15,16)(H2,17,18,19)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
512n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50193517
PNG
(3-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphono...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C22H43O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)25-20-21-18-19-27(24,28)26-21/h21H,2-20H2,1H3,(H,24,28)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
636n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350720
PNG
(CHEMBL1818153)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)C(F)P(O)([O-])=O
Show InChI InChI=1S/C14H21FNO4P/c1-2-3-4-5-6-13(17)16-12-9-7-11(8-10-12)14(15)21(18,19)20/h7-10,14H,2-6H2,1H3,(H,16,17)(H2,18,19,20)/p-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
834n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50350722
PNG
(CHEMBL1818152)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)C(=O)P(O)(O)[O-]
Show InChI InChI=1S/C14H21NO5P/c1-2-3-4-5-6-13(16)15-12-9-7-11(8-10-12)14(17)21(18,19)20/h7-10,18-19,21H,2-6H2,1H3,(H,15,16)/q-1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ATX lysophospholipase activity expressed in insect sf9 cells using FS-3 fluorogenic substrate preincubated for 10 min...


Bioorg Med Chem Lett 21: 5098-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.068
BindingDB Entry DOI: 10.7270/Q2QN674N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110402
PNG
(CHEMBL3605581)
Show SMILES [Cl-].CCCCCCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C20H42NO2S/c1-6-7-8-9-10-11-12-13-14-15-17-20(2)24(22,23)19-16-18-21(3,4)5/h2,6-19H2,1,3-5H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.79E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50286540
PNG
(1N-[20-(6-aminohexylamino)-4,8,13,17-tetramethyl-(...)
Show SMILES C\C(CCCNCCCCCCN)=C/CC\C(C)=C\CCC=C(C)CC\C=C(/C)CCCNC1CC1
Show InChI InChI=1S/C33H61N3/c1-29(17-11-19-31(3)21-13-27-35-26-10-6-5-9-25-34)15-7-8-16-30(2)18-12-20-32(4)22-14-28-36-33-23-24-33/h15-16,19-20,33,35-36H,5-14,17-18,21-28,34H2,1-4H3/b29-15+,30-16+,31-19+,32-20+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.40E+3n/an/an/an/an/an/a8.8n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 7.4


Bioorg Med Chem Lett 5: 481-486 (1995)


Article DOI: 10.1016/0960-894X(95)00058-2
BindingDB Entry DOI: 10.7270/Q2HH6K2N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110424
PNG
(CHEMBL3605579)
Show SMILES [Cl-].CCCCCCCC\C=C/CCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C26H52NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(2)30(28,29)25-22-24-27(3,4)5/h13-14H,2,6-12,15-25H2,1,3-5H3/q+1/b14-13-
PDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
2.43E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]=[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290988
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 7: 309-314 (1997)


Article DOI: 10.1016/S0960-894X(97)00008-5
BindingDB Entry DOI: 10.7270/Q26H4HDR
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50193515
PNG
(1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1
Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.17E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50110403
PNG
(CHEMBL3605580)
Show SMILES [Cl-].CCCCCCCCCCCCCCCCC(=C)S(=O)(=O)CCC[N+](C)(C)C
Show InChI InChI=1S/C24H50NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)28(26,27)23-20-22-25(3,4)5/h2,6-23H2,1,3-5H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.50E+3n/an/an/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of human ATX phosphodiesterase expressed in Sf9 cells assessed as hydrolysis of FS-3 measured after 5 to 25 mins by fluorescence assay


Bioorg Med Chem 23: 5999-6013 (2015)


BindingDB Entry DOI: 10.7270/Q2K9399W
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50279929
PNG
((2Z,6E,10E,14E)-6,11,15,19-Tetramethyl-2-(4-methyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C30H50O/c1-25(2)14-10-18-29(7)20-12-19-27(5)16-8-9-17-28(6)21-13-23-30(24-31)22-11-15-26(3)4/h14-17,20,23,31H,8-13,18-19,21-22,24H2,1-7H3/b27-16+,28-17+,29-20+,30-23-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against partially purified pig liver Squalene epoxidase (SE).


Bioorg Med Chem Lett 1: 227-232 (1991)


Article DOI: 10.1016/S0960-894X(00)80258-9
BindingDB Entry DOI: 10.7270/Q27S7NP6
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]=[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055640
PNG
(3-[(3E,7E)-11-((E)-4,8-Dimethyl-nona-3,7-dienylsul...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C28H48OS/c1-23(2)13-10-15-25(4)18-12-22-30-21-9-8-14-24(3)16-11-17-26(5)19-20-27-28(6,7)29-27/h13-14,17-18,27H,8-12,15-16,19-22H2,1-7H3/b24-14+,25-18+,26-17+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290991
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C31H52O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,16-17,19,22,25,30H,1,10-15,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 7: 309-314 (1997)


Article DOI: 10.1016/S0960-894X(97)00008-5
BindingDB Entry DOI: 10.7270/Q26H4HDR
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Saccharomyces cerevisiae (Baker's yeast))
BDBM50144314
PNG
((2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pe...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]=[#6]/[#6](/[#6])=[#6]/[#6]=[#6]/[#6](/[#6])=[#6]/[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O
Show InChI InChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
8.80E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Dissociation constant against yeast farnesyltransferase


Bioorg Med Chem Lett 14: 2137-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.077
BindingDB Entry DOI: 10.7270/Q2S181Z3
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290992
PNG
(3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F
Show InChI InChI=1S/C31H48F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h13-15,17,20,23,29H,8-12,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.02E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was d...


Bioorg Med Chem Lett 7: 309-314 (1997)


Article DOI: 10.1016/S0960-894X(97)00008-5
BindingDB Entry DOI: 10.7270/Q26H4HDR
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290989
PNG
(3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F
Show InChI InChI=1S/C31H50F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h14-15,17,20,23-24,29H,8-13,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Bioorg Med Chem Lett 7: 309-314 (1997)


Article DOI: 10.1016/S0960-894X(97)00008-5
BindingDB Entry DOI: 10.7270/Q26H4HDR
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055645
PNG
((6E,10E,14E)-2,6,10,15,19-Pentamethyl-21-(3-methyl...)
Show SMILES CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C |w:9.8|
Show InChI InChI=1S/C29H50O2/c1-22(2)18-20-28(30)26(6)17-11-16-24(4)13-9-8-12-23(3)14-10-15-25(5)19-21-29-27(7)31-29/h11-13,17,22,25-27,29H,8-10,14-16,18-21H2,1-7H3/b17-11?,23-12+,24-13+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition constant against rat liver Oxidosqualene-lanosterol cyclase


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50018524
PNG
(6,10,15,19,23-Pentamethyl-tetracosa-6,10,14,18,22-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6](-[#8])C#C
Show InChI InChI=1S/C29H46O/c1-8-29(30)23-22-28(7)21-13-19-26(5)16-10-9-15-25(4)18-12-20-27(6)17-11-14-24(2)3/h1,14-16,20-21,29-30H,9-13,17-19,22-23H2,2-7H3/b25-15+,26-16+,27-20+,28-21+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.50E+5n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Apparent inhibitory constant of the compound against squalene epoxidase


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50018522
PNG
(6,10,15,19-Tetramethyl-tetracosa-6,10,14,18-tetrae...)
Show SMILES C\C(CC\C=C(/C)CCC(O)C#C)=C/CC\C=C(/C)CC\C=C(/C)CCC(O)C#C
Show InChI InChI=1S/C28H42O2/c1-7-27(29)21-19-25(5)17-11-15-23(3)13-9-10-14-24(4)16-12-18-26(6)20-22-28(30)8-2/h1-2,13-14,17-18,27-30H,9-12,15-16,19-22H2,3-6H3/b23-13+,24-14+,25-17+,26-18+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Squalene Epoxidase


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from Candida albicans


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from Candida albicans


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50133285
PNG
((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...)
Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50133285
PNG
((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...)
Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in T. brucei


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50133285
PNG
((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...)
Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in rat


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liver


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50133285
PNG
((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...)
Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in T. cruzi


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in P. carinii


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50193515
PNG
(1-fluoro-(3S)-hydroxyl-4-oleoyloxylbutane 1,3-cycl...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC(F)P(O)(=O)O1
Show InChI InChI=1S/C22H42FO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)27-19-20-18-21(23)29(25,26)28-20/h20-21H,2-19H2,1H3,(H,25,26)/t20-,21?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055639
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-3-[(3E,7E)-3,8,1...)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]
Show InChI InChI=1S/C29H50O2/c1-22(2)12-11-21-29(7)28(31-29)20-18-24(4)14-9-8-13-23(3)15-10-16-25(5)17-19-27-26(6)30-27/h12-14,25-28H,8-11,15-21H2,1-7H3/b23-13+,24-14+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition against rat liver Oxidosqualene-lanosterol cyclase


J Med Chem 40: 201-9 (1997)


Article DOI: 10.1021/jm960483a
BindingDB Entry DOI: 10.7270/Q2P26X73
More data for this
Ligand-Target Pair
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
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in rat


J Med Chem 46: 4240-3 (2003)


Article DOI: 10.1021/jm034126t
BindingDB Entry DOI: 10.7270/Q26W99GV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 200 total )  |  Next  |  Last  >>
Jump to: