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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50031845   
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)
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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)
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)
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand


J Med Chem 39: 657-60 (1996)


Article DOI: 10.1021/jm9507340
BindingDB Entry DOI: 10.7270/Q2N29W1T
More data for this
Ligand-Target Pair
Decaprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)
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)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.5n/a



University of California San Diego



Assay Description
We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ...


Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair