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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50003861   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50003861
PNG
(CHEMBL3235318)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(42.45,-9.21,;40.91,-9.21,;41.68,-10.54,;39.58,-9.99,;38.25,-9.22,;36.91,-10,;35.58,-9.23,;35.58,-7.68,;36.91,-6.91,;36.9,-5.37,;38.24,-7.68,;39.57,-6.9,;40.91,-7.66,;42.24,-6.89,;43.57,-7.65,;44.9,-6.88,;44.89,-5.34,;43.54,-4.58,;42.22,-5.36,;46.22,-4.56,;46.19,-3.02,;47.53,-2.24,;48.87,-3,;50.2,-2.23,;51.54,-2.99,;51.55,-4.53,;52.87,-2.22,;48.87,-4.55,;47.55,-5.32,)|
Show InChI InChI=1S/C22H27N5O2/c1-22(2)19(27-18-20(24)25-12-26-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(23)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,28)(H2,24,25,26)/t13-,14-
PDB

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AffyNet 
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA


J Med Chem 57: 3464-83 (2014)


Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50003861
PNG
(CHEMBL3235318)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(42.45,-9.21,;40.91,-9.21,;41.68,-10.54,;39.58,-9.99,;38.25,-9.22,;36.91,-10,;35.58,-9.23,;35.58,-7.68,;36.91,-6.91,;36.9,-5.37,;38.24,-7.68,;39.57,-6.9,;40.91,-7.66,;42.24,-6.89,;43.57,-7.65,;44.9,-6.88,;44.89,-5.34,;43.54,-4.58,;42.22,-5.36,;46.22,-4.56,;46.19,-3.02,;47.53,-2.24,;48.87,-3,;50.2,-2.23,;51.54,-2.99,;51.55,-4.53,;52.87,-2.22,;48.87,-4.55,;47.55,-5.32,)|
Show InChI InChI=1S/C22H27N5O2/c1-22(2)19(27-18-20(24)25-12-26-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(23)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,28)(H2,24,25,26)/t13-,14-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay


J Med Chem 57: 3464-83 (2014)


Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W
More data for this
Ligand-Target Pair