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BDBM50429598 CHEMBL2333811

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O

InChI Key: InChIKey=QAORGHLWCCFYCD-HRSZXCBJSA-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 = 50429598   
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))
BDBM50429598
PNG
(CHEMBL2333811)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C36H38BrNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,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 830n/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))
BDBM50429598
PNG
(CHEMBL2333811)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C36H38BrNO10/c1-19(39)44-18-35(4)26-16-28(47-32(42)21-8-10-23(37)11-9-21)36(5)31(34(26,3)13-12-27(35)45-20(2)40)30(41)29-25(48-36)15-24(46-33(29)43)22-7-6-14-38-17-22/h6-11,14-15,17,26-28,30-31,41H,12-13,16,18H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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