new BindingDB logo
myBDB logout

BDBM50429585 CHEMBL2334204

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O

InChI Key: InChIKey=FJCQBLMYDVANLB-DYBHYMMPSA-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 = 50429585   
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))
BDBM50429585
PNG
(CHEMBL2334204)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C38H41NO10/c1-7-23-10-8-11-24(16-23)34(43)48-30-18-28-36(4,14-13-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-12-9-15-39-19-25/h7-12,15-17,19,28-30,32-33,42H,1,13-14,18,20H2,2-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/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))
BDBM50429585
PNG
(CHEMBL2334204)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|
Show InChI InChI=1S/C38H41NO10/c1-7-23-10-8-11-24(16-23)34(43)48-30-18-28-36(4,14-13-29(46-22(3)41)37(28,5)20-45-21(2)40)33-32(42)31-27(49-38(30,33)6)17-26(47-35(31)44)25-12-9-15-39-19-25/h7-12,15-17,19,28-30,32-33,42H,1,13-14,18,20H2,2-6H3/t28-,29+,30+,32+,33-,36+,37+,38-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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