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BDBM220405 US9296708, 11, MeO-P8

SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1

InChI Key: InChIKey=JPAWLDOHKLYPRL-NSOVKSMOSA-N

Data: 1 KI  1 IC50

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

Found 1 hit for monomerid = 220405   
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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM220405
PNG
(US9296708, 11, MeO-P8)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)nn1
Show InChI InChI=1S/C32H57N5O16/c1-45-8-9-46-10-11-47-12-13-48-14-15-49-16-17-50-18-19-51-20-21-52-22-23-53-25-26-24-37(36-35-26)7-3-2-4-27(30(40)41)33-32(44)34-28(31(42)43)5-6-29(38)39/h24,27-28H,2-23,25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H2,33,34,44)/t27-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
5.79n/a 131n/an/an/an/an/an/a



YALE UNIVERSITY

US Patent


Assay Description
For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...


US Patent US9296708 (2016)


BindingDB Entry DOI: 10.7270/Q2BP01P0
More data for this
Ligand-Target Pair