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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1 (DGAT1)' and Ligand = 'BDBM220409'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM220409
PNG
(US9296708, 15)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H36N6O9/c32-22(33)10-9-21(24(36)37)28-25(38)27-20(23(34)35)8-4-5-12-31-16-19(29-30-31)17-40-15-14-39-13-11-26-18-6-2-1-3-7-18/h1-3,6-7,16,20-21,26H,4-5,8-15,17H2,(H,32,33)(H,34,35)(H,36,37)(H2,27,28,38)/t20-,21-/m0/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.730n/a 16.6n/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