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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 = 'BDBM220407'   
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))
BDBM220407
PNG
(US9296708, 13)
Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCNc2ccccc2[N+]([O-])=O)nn1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H35N7O11/c33-22(34)9-8-20(24(37)38)28-25(39)27-19(23(35)36)6-3-4-11-31-15-17(29-30-31)16-43-14-13-42-12-10-26-18-5-1-2-7-21(18)32(40)41/h1-2,5,7,15,19-20,26H,3-4,6,8-14,16H2,(H,33,34)(H,35,36)(H,37,38)(H2,27,28,39)/t19-,20-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.0780n/a 1.78n/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