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BDBM50399712 CHEMBL2178951

SMILES: Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O

InChI Key: InChIKey=WHDCKKLAGABMGQ-HDJSIYSDSA-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 = 50399712   
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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50399712
PNG
(CHEMBL2178951)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:13.14,wD:16.18,(28.53,-10.23,;27.19,-9.46,;25.86,-10.23,;24.52,-9.46,;24.52,-7.92,;25.86,-7.15,;27.19,-7.93,;28.52,-7.16,;29.86,-7.93,;31.19,-7.16,;31.19,-5.61,;29.85,-4.84,;28.52,-5.62,;32.52,-4.84,;32.51,-3.3,;33.85,-2.53,;35.19,-3.3,;36.52,-2.53,;37.85,-3.3,;39.19,-2.53,;37.85,-4.84,;35.18,-4.84,;33.86,-5.61,;23.19,-7.15,;21.86,-7.92,;23.19,-5.61,)|
Show InChI InChI=1S/C20H23N3O3/c1-12-19(23-17(11-22-12)20(21)26)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-18(24)25/h6-9,11,13-14H,2-5,10H2,1H3,(H2,21,26)(H,24,25)/t13-,14-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1 by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50399712
PNG
(CHEMBL2178951)
Show SMILES Cc1ncc(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O |r,wU:13.14,wD:16.18,(28.53,-10.23,;27.19,-9.46,;25.86,-10.23,;24.52,-9.46,;24.52,-7.92,;25.86,-7.15,;27.19,-7.93,;28.52,-7.16,;29.86,-7.93,;31.19,-7.16,;31.19,-5.61,;29.85,-4.84,;28.52,-5.62,;32.52,-4.84,;32.51,-3.3,;33.85,-2.53,;35.19,-3.3,;36.52,-2.53,;37.85,-3.3,;39.19,-2.53,;37.85,-4.84,;35.18,-4.84,;33.86,-5.61,;23.19,-7.15,;21.86,-7.92,;23.19,-5.61,)|
Show InChI InChI=1S/C20H23N3O3/c1-12-19(23-17(11-22-12)20(21)26)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-18(24)25/h6-9,11,13-14H,2-5,10H2,1H3,(H2,21,26)(H,24,25)/t13-,14-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair