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SMILES: Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O

InChI Key: InChIKey=LRASAEHPLPIYQW-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 321168   
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


(Homo sapiens (Human))
BDBM321168
PNG
(US10174049, Example 35 | US9738658, Example 35 | U...)
Show SMILES Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C18H16N8O2/c1-10-22-18(24-23-10)26-5-4-11-8-12(2-3-13(11)26)25-6-7-28-16-14(17(25)27)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US10174049 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DCR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321168
PNG
(US10174049, Example 35 | US9738658, Example 35 | U...)
Show SMILES Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C18H16N8O2/c1-10-22-18(24-23-10)26-5-4-11-8-12(2-3-13(11)26)25-6-7-28-16-14(17(25)27)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9796729 (2017)


BindingDB Entry DOI: 10.7270/Q2057J2H
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM321168
PNG
(US10174049, Example 35 | US9738658, Example 35 | U...)
Show SMILES Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O
Show InChI InChI=1S/C18H16N8O2/c1-10-22-18(24-23-10)26-5-4-11-8-12(2-3-13(11)26)25-6-7-28-16-14(17(25)27)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)(H,22,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)


BindingDB Entry DOI: 10.7270/Q26Q20BZ
More data for this
Ligand-Target Pair