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BDBM303816 (+)-4,5-Dihydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one::US10138240, Example 1

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)c1cc(N)n(n1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=RIUKDNIUQTVXHS-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303816   
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
Lecithin:cholesterol acyltransferase


(Bacillus cereus)
BDBM303816
PNG
((+)-4,5-Dihydroxy-4-(trifluoromethyl)-3-{1-[5-(tri...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)c1cc(N)n(n1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O2/c1-26(2,3)32-25(31)29-16-14-19(15-17-29)22-18-23(27)30(28-22)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,24H,14-17,27H2,1-3H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 4n/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
A fraction composed of HDL3 (1.125


US Patent US10138240 (2018)

More data for this
Ligand-Target Pair