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BDBM50438735 CHEMBL2414670

SMILES: Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1

InChI Key: InChIKey=YHEFHAAZUQQTLM-WKILWMFISA-N

Data: 4 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 4 hits for monomerid = 50438735   
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))
BDBM50438735
PNG
(CHEMBL2414670)
Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)|
Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16-
UniProtKB/SwissProt

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50438735
PNG
(CHEMBL2414670)
Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)|
Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DGAT-1-mediated triglyceride synthesis in human HT-29 cells using [3H]-glycerol as substrate incubated for 1 hr prior to substrate addi...


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50438735
PNG
(CHEMBL2414670)
Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)|
Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50438735
PNG
(CHEMBL2414670)
Show SMILES Cc1noc(C[C@H]2CC[C@@H](CC2)c2ccc(cc2)N2CCOc3ncnc(N)c3C2=O)n1 |r,wU:9.12,wD:6.5,(36.55,-43.27,;35.45,-42.18,;35.71,-40.66,;34.32,-39.96,;33.22,-41.07,;31.72,-40.82,;30.73,-42.03,;29.22,-41.78,;28.26,-42.96,;28.81,-44.42,;30.3,-44.64,;31.27,-43.46,;27.82,-45.63,;26.31,-45.38,;25.34,-46.57,;25.88,-48.02,;27.38,-48.24,;28.35,-47.06,;24.9,-49.22,;25.54,-50.6,;24.91,-52.01,;23.38,-52.34,;22.18,-51.36,;20.84,-52.13,;19.5,-51.35,;19.51,-49.8,;20.86,-49.04,;20.86,-47.5,;22.19,-49.82,;23.4,-48.87,;23.07,-47.35,;33.93,-42.42,)|
Show InChI InChI=1S/C23H26N6O3/c1-14-27-19(32-28-14)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29-10-11-31-22-20(23(29)30)21(24)25-13-26-22/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,24,25,26)/t15-,16-
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1


Bioorg Med Chem 21: 5081-97 (2013)


Article DOI: 10.1016/j.bmc.2013.06.045
BindingDB Entry DOI: 10.7270/Q26111RG
More data for this
Ligand-Target Pair