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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 = 'BDBM220396'   
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))
BDBM220396
PNG
(US9296708, 2, ARM-P1)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H30N8O12/c32-20(33)7-6-18(22(36)37)26-23(38)25-17(21(34)35)3-1-2-9-29-12-14(27-28-29)13-43-10-8-24-16-5-4-15(30(39)40)11-19(16)31(41)42/h4-5,11-12,17-18,24H,1-3,6-10,13H2,(H,32,33)(H,34,35)(H,36,37)(H2,25,26,38)/t17-,18-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0470n/a 1.05n/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