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BDBM215604 US9296745, 163

SMILES: O=C([C@@H]1CCCN(C1)c1ccc2nc([nH]c2n1)-c1cccc(c1)-c1nnn[nH]1)N1CCCC1

InChI Key: InChIKey=YJKDMBIJRNDMAR-AGDOHHJYNA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 215604   
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 2


(Homo sapiens (Human))
BDBM215604
PNG
(US9296745, 163)
Show SMILES O=C([C@@H]1CCCN(C1)c1ccc2nc([nH]c2n1)-c1cccc(c1)-c1nnn[nH]1)N1CCCC1
Show InChI InChI=1/C23H25N9O/c33-23(31-10-1-2-11-31)17-7-4-12-32(14-17)19-9-8-18-22(25-19)26-20(24-18)15-5-3-6-16(13-15)21-27-29-30-28-21/h3,5-6,8-9,13,17H,1-2,4,7,10-12,14H2,(H,24,25,26)(H,27,28,29,30)/t17-/s2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.40E+3n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 uL. To 1 uL of c...


US Patent US9296745 (2016)


BindingDB Entry DOI: 10.7270/Q25719VW
More data for this
Ligand-Target Pair