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BDBM201544 US9187424, 311

InChI string: InChI=1/C24H27F3N6O2/c1-3-4-5-6-7-8-9-14-23(24(25,26)27)15-18(17-12-10-16(2)11-13-17)19(21(34)29-23)28-22(35)20-30-32-33-31-20/h10-13H,3-8,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31,32,33)

SMILES: CCCCCCCC#CC1(CC(=C(NC(=O)c2nnn[nH]2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F

InChI Key: InChIKey=RKKRWOZFNITXHO-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 201544   
Target
(Institution)
LigandTarget
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
Monoacylglycerol acyltransferase type 2 (h-MGAT2)


(Homo sapiens (Human))
BDBM201544
PNG
(US9187424, 311)
Show SMILES CCCCCCCC#CC1(CC(=C(NC(=O)c2nnn[nH]2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
Show InChI InChI=1/C24H27F3N6O2/c1-3-4-5-6-7-8-9-14-23(24(25,26)27)15-18(17-12-10-16(2)11-13-17)19(21(34)29-23)28-22(35)20-30-32-33-31-20/h10-13H,3-8,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The MGAT enzyme reactions were performed in CORNING Falcon 96-well Polypropylene plates, in a total volume of 60 uL of 50 mM Potassium Phosphate buff...


US Patent US9187424 (2015)

More data for this
Ligand-Target Pair