BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50005041   
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
Squalene synthase


(Rattus norvegicus)
BDBM50031845
PNG
((4-Biphenyl-4-yl-1-phosphono-butyl)-phosphonic aci...)
Show SMILES OP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.700n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031839
PNG
(((E)-6,10-Dimethyl-1-phosphono-undeca-5,9-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031843
PNG
(((E)-8,12-Dimethyl-1-phosphono-trideca-7,11-dienyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H30O6P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031848
PNG
(((E)-7,11-Dimethyl-1-phosphono-dodeca-6,10-dienyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O6P2/c1-12(2)8-7-10-13(3)9-5-4-6-11-14(21(15,16)17)22(18,19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H2,15,16,17)(H2,18,19,20)/b13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031844
PNG
(((E)-1-Hydroxyphosphinoyl-6,10-dimethyl-undeca-5,9...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P(=O)=O)P([#8])([#8])[#8]
Show InChI InChI=1S/C13H26O5P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(19(14)15)20(16,17)18/h7-8,13,16-18,20H,4-6,9-10H2,1-3H3/b12-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031851
PNG
(((E)-10,14-Dimethyl-1-phosphono-pentadeca-9,13-die...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C17H34O6P2/c1-15(2)11-10-13-16(3)12-8-6-4-5-7-9-14-17(24(18,19)20)25(21,22)23/h11-12,17H,4-10,13-14H2,1-3H3,(H2,18,19,20)(H2,21,22,23)/b16-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.20n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031842
PNG
(CHEMBL86867 | [(5E,9E)-1-(Hydroxy-hydroxymethyl-ph...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H36O6P2/c1-16(2)9-7-11-18(4)13-8-12-17(3)10-5-6-14-19(27(23,24)25)26(21,22)15-20/h9-10,13,15,19,21-22,26H,5-8,11-12,14H2,1-4H3,(H2,23,24,25)/b17-10+,18-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031847
PNG
(((5E,9E)-6,10,14-Trimethyl-1-phosphono-pentadeca-5...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C18H34O6P2/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H2,22,23,24)/b16-10+,17-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031859
PNG
(CHEMBL314797 | [(5E,9E)-1-(Hydroxy-methoxymethyl-p...)
Show SMILES [#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
Show InChI InChI=1S/C20H38O6P2/c1-17(2)10-8-12-19(4)14-9-13-18(3)11-6-7-15-20(28(23,24)25)27(21,22)16-26-5/h10-11,14,20H,6-9,12-13,15-16H2,1-5H3,(H,21,22)(H2,23,24,25)/b18-11+,19-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031832
PNG
(CHEMBL87922 | [(6E,10E)-1-(Hydroxy-methyl-phosphin...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C20H38O5P2/c1-17(2)11-9-13-19(4)15-10-14-18(3)12-7-6-8-16-20(26(5,21)22)27(23,24)25/h11-12,15,20H,6-10,13-14,16H2,1-5H3,(H,21,22)(H2,23,24,25)/b18-12+,19-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031862
PNG
(CHEMBL84629 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C18H36O5P2/c1-16(2)12-11-14-17(3)13-9-7-5-6-8-10-15-18(24(4,19)20)25(21,22)23/h12-13,18H,5-11,14-15H2,1-4H3,(H,19,20)(H2,21,22,23)/b17-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.70n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031836
PNG
(((8E,12E)-9,13,17-Trimethyl-1-phosphono-octadeca-8...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C21H40O6P2/c1-18(2)12-10-14-20(4)16-11-15-19(3)13-8-6-5-7-9-17-21(28(22,23)24)29(25,26)27/h12-13,16,21H,5-11,14-15,17H2,1-4H3,(H2,22,23,24)(H2,25,26,27)/b19-13+,20-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11.8n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031849
PNG
(CHEMBL86918 | [(5E,9E)-1-(Hydroxy-methyl-phosphino...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H36O5P2/c1-16(2)10-8-12-18(4)14-9-13-17(3)11-6-7-15-19(25(5,20)21)26(22,23)24/h10-11,14,19H,6-9,12-13,15H2,1-5H3,(H,20,21)(H2,22,23,24)/b17-11+,18-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 12.9n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031837
PNG
(CHEMBL87489 | [(E)-1-(Hydroxy-methoxymethyl-phosph...)
Show SMILES [#6]-[#8]-[#6]P([#8])(=O)[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])P([#8])([#8])=O
Show InChI InChI=1S/C15H30O6P2/c1-13(2)8-7-10-14(3)9-5-6-11-15(23(18,19)20)22(16,17)12-21-4/h8-9,15H,5-7,10-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13.1n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031840
PNG
(CHEMBL84961 | [4-Biphenyl-4-yl-1-(hydroxy-methoxym...)
Show SMILES COCP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C18H24O6P2/c1-24-14-25(19,20)18(26(21,22)23)9-5-6-15-10-12-17(13-11-15)16-7-3-2-4-8-16/h2-4,7-8,10-13,18H,5-6,9,14H2,1H3,(H,19,20)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 14.8n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031854
PNG
(((E)-9,13-Dimethyl-1-phosphono-tetradeca-8,12-dien...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H32O6P2/c1-14(2)10-9-12-15(3)11-7-5-4-6-8-13-16(23(17,18)19)24(20,21)22/h10-11,16H,4-9,12-13H2,1-3H3,(H2,17,18,19)(H2,20,21,22)/b15-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 17.6n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031855
PNG
(CHEMBL86621 | [4-Biphenyl-4-yl-1-(hydroxy-hydroxym...)
Show SMILES OP(O)(C=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H22O6P2/c18-13-24(19,20)17(25(21,22)23)8-4-5-14-9-11-16(12-10-14)15-6-2-1-3-7-15/h1-3,6-7,9-13,17,19-20,24H,4-5,8H2,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23.9n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031850
PNG
(CHEMBL420416 | [(E)-1-(Hydroxy-methyl-phosphinoyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H32O5P2/c1-14(2)10-9-12-15(3)11-7-5-6-8-13-16(22(4,17)18)23(19,20)21/h10-11,16H,5-9,12-13H2,1-4H3,(H,17,18)(H2,19,20,21)/b15-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 30.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031853
PNG
(((3E,7E)-4,8,12-Trimethyl-1-phosphono-trideca-3,7,...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](/P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,12,15H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/b14-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 32.4n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031846
PNG
(((E)-4,8-Dimethyl-1-phosphono-nona-3,7-dienyl)-pho...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]\[#6]=[#6](\P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C11H22O6P2/c1-9(2)5-4-6-10(3)7-8-11(18(12,13)14)19(15,16)17/h5,8,10H,4,6-7H2,1-3H3,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 35.5n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031861
PNG
(CHEMBL87822 | [(E)-1-(Hydroxy-hydroxymethyl-phosph...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#8])([#8])[#6]=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O6P2/c1-12(2)7-6-9-13(3)8-4-5-10-14(22(18,19)20)21(16,17)11-15/h7-8,11,14,16-17,21H,4-6,9-10H2,1-3H3,(H2,18,19,20)/b13-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 38.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031841
PNG
(((E)-5,9-Dimethyl-1-phosphono-deca-4,8-dienyl)-pho...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O |w:8.8|
Show InChI InChI=1S/C12H24O6P2/c1-10(2)6-4-7-11(3)8-5-9-12(19(13,14)15)20(16,17)18/h6,8,12H,4-5,7,9H2,1-3H3,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 77.7n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031858
PNG
(CHEMBL86580 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H28O5P2/c1-12(2)8-7-10-13(3)9-5-6-11-14(20(4,15)16)21(17,18)19/h8-9,14H,5-7,10-11H2,1-4H3,(H,15,16)(H2,17,18,19)/b13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 81n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031834
PNG
(CHEMBL86919 | [(3E,7E)-1-(Hydroxy-methyl-phosphino...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](P([#6])([#8])=O)P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C17H32O5P2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17(23(5,18)19)24(20,21)22/h8,10,13,16H,6-7,9,11-12H2,1-5H3,(H,18,19)(H2,20,21,22)/b15-10+,17-13?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 106n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031838
PNG
(CHEMBL315239 | [(E)-1-(Hydroxy-methyl-phosphinoyl)...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C17H34O5P2/c1-15(2)11-10-13-16(3)12-8-6-5-7-9-14-17(23(4,18)19)24(20,21)22/h11-12,17H,5-10,13-14H2,1-4H3,(H,18,19)(H2,20,21,22)/b16-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 374n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031863
PNG
(CHEMBL441807 | [4-Biphenyl-4-yl-1-(hydroxy-methyl-...)
Show SMILES CP(O)(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H22O5P2/c1-23(18,19)17(24(20,21)22)9-5-6-14-10-12-16(13-11-14)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,18,19)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 490n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031856
PNG
(CHEMBL86707 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6]-[#6](P([#6])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H30O5P2/c1-13(2)9-8-11-14(3)10-6-5-7-12-15(21(4,16)17)22(18,19)20/h9-10,15H,5-8,11-12H2,1-4H3,(H,16,17)(H2,18,19,20)/b14-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 605n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031835
PNG
((6E,10E)-7,11,15-Trimethyl-2-phosphono-hexadeca-6,...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C19H33O5P/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(19(20)21)25(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H,20,21)(H2,22,23,24)/b16-10+,17-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 880n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031833
PNG
((E)-7,11-Dimethyl-2-phosphono-dodeca-6,10-dienoic ...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6](-[#6](-[#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C14H25O5P/c1-11(2)7-6-9-12(3)8-4-5-10-13(14(15)16)20(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,15,16)(H2,17,18,19)/b12-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031857
PNG
(5-Biphenyl-4-yl-2-phosphono-pentanoic acid | CHEMB...)
Show SMILES OC(=O)C(CCCc1ccc(cc1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C17H19O5P/c18-17(19)16(23(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H,18,19)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031852
PNG
((6-Methyl-1-phosphono-hept-5-enyl)-phosphonic acid...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8])=O
Show InChI InChI=1S/C8H18O6P2/c1-7(2)5-3-4-6-8(15(9,10)11)16(12,13)14/h5,8H,3-4,6H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair
Squalene synthase


(Rattus norvegicus)
BDBM50031860
PNG
(CHEMBL86632 | [(E)-1-(Hydroxy-methyl-phosphinoyl)-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]=[#6](P([#6])([#8])=O)P([#8])([#8])=O |w:9.8|
Show InChI InChI=1S/C12H24O5P2/c1-10(2)6-5-7-11(3)8-9-12(18(4,13)14)19(15,16)17/h6,9,11H,5,7-8H2,1-4H3,(H,13,14)(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsomal squalene synthase


J Med Chem 38: 2596-605 (1995)


BindingDB Entry DOI: 10.7270/Q2BV7FNW
More data for this
Ligand-Target Pair