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BDBM50429571 CHEMBL2334218

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O

InChI Key: InChIKey=SVYJIBZKWJJCAK-AKDLFGOOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429571   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50429571
PNG
(CHEMBL2334218)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C36H36F3NO10/c1-17(41)46-16-35(4)24-14-26(49-32(44)20-8-9-21(37)29(39)28(20)38)36(5)31(34(24,3)11-10-25(35)47-18(2)42)30(43)27-23(50-36)13-22(48-33(27)45)19-7-6-12-40-15-19/h6-9,12-13,15,24-26,30-31,43H,10-11,14,16H2,1-5H3/t24-,25+,26+,30+,31-,34+,35+,36-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.43E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin) expressed in CHO cells


Bioorg Med Chem Lett 23: 1285-7 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.099
BindingDB Entry DOI: 10.7270/Q2P270HW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50429571
PNG
(CHEMBL2334218)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C36H36F3NO10/c1-17(41)46-16-35(4)24-14-26(49-32(44)20-8-9-21(37)29(39)28(20)38)36(5)31(34(24,3)11-10-25(35)47-18(2)42)30(43)27-23(50-36)13-22(48-33(27)45)19-7-6-12-40-15-19/h6-9,12-13,15,24-26,30-31,43H,10-11,14,16H2,1-5H3/t24-,25+,26+,30+,31-,34+,35+,36-/m1/s1
UniProtKB/SwissProt

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



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin) expressed in CHO cells


Bioorg Med Chem Lett 23: 1285-7 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.099
BindingDB Entry DOI: 10.7270/Q2P270HW
More data for this
Ligand-Target Pair