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BDBM503716 US11034678, Example 3.2

SMILES: CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(CO)CO

InChI Key: InChIKey=HTMRFAUZMSAUQL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 503716   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM503716
PNG
(US11034678, Example 3.2)
Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(CO)CO
Show InChI InChI=1S/C21H23N5O5/c1-3-30-17-5-4-6-23-20(17)31-16-7-14(8-22-11-16)18-24-9-15(10-25-18)19(29)26-21(2,12-27)13-28/h4-11,27-28H,3,12-13H2,1-2H3,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 83.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...


US Patent US11034678 (2021)

More data for this
Ligand-Target Pair