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BDBM50436353 CHEMBL2398806

SMILES: Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1

InChI Key: InChIKey=WSBKXEFDERVRCY-KFSBURAESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50436353   
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 2


(Homo sapiens (Human))
BDBM50436353
PNG
(CHEMBL2398806)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
Show InChI InChI=1S/C41H40N2O8/c1-23-7-5-8-26(17-23)38-47-22-40(3)30-19-32(49-36(45)25-12-10-24(20-42)11-13-25)41(4)35(39(30,2)15-14-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-9-6-16-43-21-27/h5-13,16-18,21,30-32,34-35,38,44H,14-15,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50436353
PNG
(CHEMBL2398806)
Show SMILES Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|
Show InChI InChI=1S/C41H40N2O8/c1-23-7-5-8-26(17-23)38-47-22-40(3)30-19-32(49-36(45)25-12-10-24(20-42)11-13-25)41(4)35(39(30,2)15-14-31(40)50-38)34(44)33-29(51-41)18-28(48-37(33)46)27-9-6-16-43-21-27/h5-13,16-18,21,30-32,34-35,38,44H,14-15,19,22H2,1-4H3/t30-,31+,32+,34+,35-,38-,39+,40+,41-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.73E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 3798-801 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.075
BindingDB Entry DOI: 10.7270/Q2WD41Z9
More data for this
Ligand-Target Pair