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PubMed code 31902650

Compile data set for download or QSAR
Found 2 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50541163
PNG
(CHEMBL4639024)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
Show InChI InChI=1S/C28H52O7P2/c1-18(2)32-36(30,33-19(3)4)25(37(31,34-20(5)6)35-21(7)8)17-22-15-23(27(9,10)11)26(29)24(16-22)28(12,13)14/h15-16,18-21,25,29H,17H2,1-14H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 470n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Induction of human HMGCR-dCat-ELuc degradation expressed in HEK293 cells assessed as reduction in luciferase activity after 4 hrs by luciferase repor...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115298
BindingDB Entry DOI: 10.7270/Q2DN48KB
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM20182
PNG
((1S,2R,5S,10S,11S,14R,15R)-14-[(2R)-6-hydroxy-6-me...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r,t:9|
Show InChI InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 630n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Induction of human HMGCR-dCat-ELuc degradation expressed in HEK293 cells assessed as reduction in luciferase activity after 4 hrs by luciferase repor...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115298
BindingDB Entry DOI: 10.7270/Q2DN48KB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%