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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM223515'   
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


(Homo sapiens (Human))
BDBM223515
PNG
(US9321728, 64)
Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Cl)cc2Cl)cc1 |r,wD:4.3,$;;;;;;;;;;;;;;HN;;;;;HN;;;;;;;;;;;;;;;;;;;;;$,(14.27,-4.52,;12.93,-3.75,;12.93,-2.21,;11.6,-4.52,;10.27,-3.75,;10.27,-2.21,;8.93,-1.44,;7.6,-2.21,;7.6,-3.75,;8.93,-4.52,;6.27,-1.44,;4.93,-2.21,;3.6,-1.44,;3.6,.1,;2.26,.87,;.93,.1,;.93,-1.44,;-.4,.87,;-1.74,.1,;-3.07,.87,;-4.4,.1,;-4.4,-1.44,;-5.74,.87,;-7.2,.4,;-8.11,1.64,;-7.2,2.89,;-5.7,2.44,;-4.46,3.34,;-3.21,4.25,;-5.36,4.59,;-3.55,2.1,;-9.65,1.64,;-10.42,2.98,;-11.96,2.98,;-12.73,1.64,;-14.27,1.64,;-11.96,.31,;-10.42,.31,;-9.65,-1.02,;4.93,.87,;6.27,.1,)|
Show InChI InChI=1S/C28H26Cl2F3N3O5/c29-18-7-10-20(21(30)14-18)27-36-24(25(41-27)28(31,32)33)26(40)34-12-11-22(37)35-19-8-5-17(6-9-19)16-3-1-15(2-4-16)13-23(38)39/h5-10,14-16H,1-4,11-13H2,(H,34,40)(H,35,37)(H,38,39)/t15-,16?
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...


US Patent US9321728 (2016)


BindingDB Entry DOI: 10.7270/Q2FX789Z
More data for this
Ligand-Target Pair