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BDBM50436344 CHEMBL2398815

SMILES: C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1

InChI Key: InChIKey=OLMLXIHADMDRSC-WVGFPPCDSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50436344   
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
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50436344
PNG
(CHEMBL2398815)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(20-41)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-42-21-26/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+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)

More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50436344
PNG
(CHEMBL2398815)
Show SMILES C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)25-8-5-4-6-9-25)29(38)19-31(48-35(44)24-13-11-23(20-41)12-14-24)40(3)34(38)33(43)32-28(50-40)18-27(47-36(32)45)26-10-7-17-42-21-26/h4-14,17-18,21,29-31,33-34,37,43H,15-16,19,22H2,1-3H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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)

More data for this
Ligand-Target Pair