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BDBM50433212 CHEMBL2375705

SMILES: CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O

InChI Key: InChIKey=AFLCDYWHGOSLJQ-LXGHJNSBSA-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 = 50433212   
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))
BDBM50433212
PNG
(CHEMBL2375705)
Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O
Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 (unknown origin)


Bioorg Med Chem Lett 23: 2659-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3
More data for this
Ligand-Target Pair
Acyl-coenzyme A:cholesterol acyltransferase 2 (ACAT2)


(Homo sapiens (Human))
BDBM50433212
PNG
(CHEMBL2375705)
Show SMILES CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O
Show InChI InChI=1S/C38H40N2O10/c1-6-30(42)48-28-13-14-36(3)27(37(28,4)20-46-21(2)41)17-29(49-34(44)23-11-9-22(18-39)10-12-23)38(5)33(36)32(43)31-26(50-38)16-25(47-35(31)45)24-8-7-15-40-19-24/h7-12,15-16,19,27-29,32-33,43H,6,13-14,17,20H2,1-5H3/t27-,28+,29+,32+,33-,36+,37+,38-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 (unknown origin)


Bioorg Med Chem Lett 23: 2659-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.088
BindingDB Entry DOI: 10.7270/Q20866P3
More data for this
Ligand-Target Pair