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BDBM176288 US9688696, 3

SMILES: Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccnc(NC2CCCCC2)n1

InChI Key: InChIKey=NWHKFDOQBABOEC-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 176288   
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))
BDBM176288
PNG
(US9688696, 3)
Show SMILES Clc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccnc(NC2CCCCC2)n1
Show InChI InChI=1S/C27H30Cl2N6O/c28-22-7-4-8-23(29)25(22)33-27(36)35-17-15-34(16-18-35)21-11-9-19(10-12-21)24-13-14-30-26(32-24)31-20-5-2-1-3-6-20/h4,7-14,20H,1-3,5-6,15-18H2,(H,33,36)(H,30,31,32)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 501n/an/an/an/a7.425



Janssen Pharmaceutica NV

US Patent


Assay Description
DGAT activity in membrane preparations was assayed in 50 mM Tris-HCl (pH 7.4), 150 mM MgCl2, 1 mM EDTA and 0.2% BSA, containing 50 μM DAG, 32 &#...


US Patent US9688696 (2017)


BindingDB Entry DOI: 10.7270/Q24X55ZP
More data for this
Ligand-Target Pair