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BDBM50399688 CHEMBL2178940

SMILES: Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1

InChI Key: InChIKey=IMWRAMRCTOCWEX-SHTZXODSSA-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 = 50399688   
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
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (Human))
BDBM50399688
PNG
(CHEMBL2178940)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:17.18,wD:20.22,(23.91,-49.49,;25.24,-48.72,;26.58,-49.49,;27.91,-48.72,;29.24,-49.48,;27.91,-47.18,;26.57,-46.41,;25.24,-47.17,;23.91,-46.4,;22.57,-47.17,;23.91,-44.86,;29.24,-46.41,;30.57,-47.18,;31.91,-46.41,;31.9,-44.86,;30.57,-44.1,;29.24,-44.87,;33.24,-44.09,;33.23,-42.55,;34.57,-41.78,;35.9,-42.55,;37.24,-41.78,;38.57,-42.55,;38.73,-44.08,;40.24,-44.4,;41.01,-43.07,;39.98,-41.92,;35.9,-44.09,;34.57,-44.86,)|
Show InChI InChI=1S/C21H25N7O/c1-12-19(24-20(21(22)29)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18-25-27-28-26-18/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,29)(H,25,26,27,28)/t14-,15-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+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))
BDBM50399688
PNG
(CHEMBL2178940)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:17.18,wD:20.22,(23.91,-49.49,;25.24,-48.72,;26.58,-49.49,;27.91,-48.72,;29.24,-49.48,;27.91,-47.18,;26.57,-46.41,;25.24,-47.17,;23.91,-46.4,;22.57,-47.17,;23.91,-44.86,;29.24,-46.41,;30.57,-47.18,;31.91,-46.41,;31.9,-44.86,;30.57,-44.1,;29.24,-44.87,;33.24,-44.09,;33.23,-42.55,;34.57,-41.78,;35.9,-42.55,;37.24,-41.78,;38.57,-42.55,;38.73,-44.08,;40.24,-44.4,;41.01,-43.07,;39.98,-41.92,;35.9,-44.09,;34.57,-44.86,)|
Show InChI InChI=1S/C21H25N7O/c1-12-19(24-20(21(22)29)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18-25-27-28-26-18/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,29)(H,25,26,27,28)/t14-,15-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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