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SMILES: COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50578744   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50578744
PNG
(CHEMBL4872545)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [S35]-MK-0499 binding to human ERG expressed in HEK293 cells


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50578744
PNG
(CHEMBL4872545)
Show SMILES COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CC(F)C1)-c1ccc(cc1C)C(O)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 94n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair