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BDBM50437388 CHEMBL3037924

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1

InChI Key: InChIKey=BMEGBUZHFQYVSQ-QAQDUYKDSA-N

Data: 3 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 3 hits for monomerid = 50437388   
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


(Mus musculus (mouse))
BDBM50437388
PNG
(CHEMBL3037924)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)|
Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17-
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UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1


ACS Med Chem Lett 4: 773-8 (2013)


Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437388
PNG
(CHEMBL3037924)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)|
Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 167n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ACAT1


ACS Med Chem Lett 4: 773-8 (2013)


Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50437388
PNG
(CHEMBL3037924)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(cn1)-c1nc2ccc(Cl)cc2[nH]1 |r,wU:7.10,wD:4.3,(31.44,-46.33,;32.2,-44.99,;33.75,-45,;31.43,-43.66,;29.89,-43.65,;29.12,-42.32,;27.58,-42.32,;26.82,-43.65,;27.59,-44.99,;29.12,-44.99,;25.28,-43.66,;24.51,-45,;22.97,-45,;22.2,-43.66,;22.97,-42.33,;24.5,-42.32,;20.67,-43.66,;19.89,-42.32,;18.36,-42.33,;17.59,-43.66,;18.36,-44.99,;19.9,-45,;16.05,-43.66,;15.15,-44.91,;13.68,-44.43,;12.35,-45.19,;11.02,-44.43,;11.02,-42.89,;9.69,-42.12,;12.35,-42.11,;13.68,-42.89,;15.15,-42.41,)|
Show InChI InChI=1S/C26H24ClN3O2/c27-21-10-12-23-24(14-21)30-26(29-23)20-9-11-22(28-15-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-25(31)32/h5-12,14-17H,1-4,13H2,(H,29,30)(H,31,32)/t16-,17-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


ACS Med Chem Lett 4: 773-8 (2013)


Article DOI: 10.1021/ml400168h
BindingDB Entry DOI: 10.7270/Q2NG4S28
More data for this
Ligand-Target Pair