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BDBM215552 US9296745, 109-A::US9296745, 109-B::US9296745, 190

SMILES: Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1

InChI Key: InChIKey=PZHNKPBYOPQTRG-GGYSOQFKNA-N

Data: 7 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 7 hits for monomerid = 215552   
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))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC sid
UniChem
US Patent
n/an/a 13.8n/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))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC sid
UniChem
US Patent
n/an/a 20.2n/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))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC cid
PC sid
UniChem
US Patent
n/an/a 35.9n/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))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL




J Med Chem 61: 1767-1773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00762
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For evaluation of the effects of DGAT2 inhibitors in a cell-based setting, cryopreserved human hepatocytes (Lot QOC, Celsis, Chicago, Ill.) were thaw...


US Patent US9296745 (2016)


BindingDB Entry DOI: 10.7270/Q25719VW
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL




J Med Chem 61: 1767-1773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00762
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM215552
PNG
(US9296745, 109-A | US9296745, 109-B | US9296745, 1...)
Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r|
Show InChI InChI=1/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/s2
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
For evaluation of the effects of DGAT2 inhibitors in a cell-based setting, cryopreserved human hepatocytes (Lot QOC, Celsis, Chicago, Ill.) were thaw...


US Patent US9296745 (2016)


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