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BDBM50358331 CHEMBL1922680

SMILES: Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1

InChI Key: InChIKey=QRBGHYWWUNTFCH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50358331   
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 (DGAT1)


(Homo sapiens (Human))
BDBM50358331
PNG
(CHEMBL1922680)
Show SMILES Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.99E+3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in CHOK1 cells using 14C palmitic acid as substrate after 1 hr by TLC analysis


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358331
PNG
(CHEMBL1922680)
Show SMILES Clc1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C19H17ClN4O3/c20-17-16(23-19(27-17)13-4-2-1-3-5-13)18(25)22-14-6-7-15(21-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair