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BDBM50433207 CHEMBL2375602

SMILES: COc1ccc(CNC(=O)[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)OC(C)=O)c(OC)c1

InChI Key: InChIKey=YBPLVXSCROVJTQ-QFFNVQMGNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433207   
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))
BDBM50433207
PNG
(CHEMBL2375602)
Show SMILES COc1ccc(CNC(=O)[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)OC(C)=O)c(OC)c1
Show InChI InChI=1/C44H45N3O11/c1-24(48)55-34-15-16-42(2)33(43(34,3)41(52)47-23-28-13-14-29(53-5)18-30(28)54-6)20-35(57-39(50)26-11-9-25(21-45)10-12-26)44(4)38(42)37(49)36-32(58-44)19-31(56-40(36)51)27-8-7-17-46-22-27/h7-14,17-19,22,33-35,37-38,49H,15-16,20,23H2,1-6H3,(H,47,52)/t33-,34+,35+,37+,38-,42+,43+,44-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.26E+5n/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
Sterol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50433207
PNG
(CHEMBL2375602)
Show SMILES COc1ccc(CNC(=O)[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)OC(C)=O)c(OC)c1
Show InChI InChI=1/C44H45N3O11/c1-24(48)55-34-15-16-42(2)33(43(34,3)41(52)47-23-28-13-14-29(53-5)18-30(28)54-6)20-35(57-39(50)26-11-9-25(21-45)10-12-26)44(4)38(42)37(49)36-32(58-44)19-31(56-40(36)51)27-8-7-17-46-22-27/h7-14,17-19,22,33-35,37-38,49H,15-16,20,23H2,1-6H3,(H,47,52)/t33-,34+,35+,37+,38-,42+,43+,44-/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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