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BDBM215486 US9296745, 154::US9296745, 41

SMILES: Clc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1

InChI Key: InChIKey=OQYHERKWLIKWBJ-XISACWJONA-N

Data: 2 IC50

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 2 hits for monomerid = 215486   
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))
BDBM215486
PNG
(US9296745, 154 | US9296745, 41)
Show SMILES Clc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H24ClN5O/c23-17-7-3-5-15(13-17)20-24-18-8-9-19(25-21(18)26-20)28-12-4-6-16(14-28)22(29)27-10-1-2-11-27/h3,5,7-9,13,16H,1-2,4,6,10-12,14H2,(H,24,25,26)/t16-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.5n/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
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215486
PNG
(US9296745, 154 | US9296745, 41)
Show SMILES Clc1cccc(c1)-c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H24ClN5O/c23-17-7-3-5-15(13-17)20-24-18-8-9-19(25-21(18)26-20)28-12-4-6-16(14-28)22(29)27-10-1-2-11-27/h3,5,7-9,13,16H,1-2,4,6,10-12,14H2,(H,24,25,26)/t16-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.56n/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