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3 similar compounds to monomer 50450313

Compile data set for download or QSAR
Wt: 602.8
BDBM50033949
Wt: 522.7
BDBM50033950
Wt: 522.7
BDBM50033974

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50033949,50033950,50033974   
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, Soat


(Rattus norvegicus)
BDBM50033950
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diisopropyl-1H-i...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C(C)C)c([nH]1)C(C)C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H44F2N4OS/c1-6-7-8-9-11-16-34(28(35)31-24-15-14-22(29)19-23(24)30)17-12-10-13-18-36-27-32-25(20(2)3)26(33-27)21(4)5/h14-15,19-21H,6-13,16-18H2,1-5H3,(H,31,35)(H,32,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.


J Med Chem 38: 1067-83 (1995)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033949
PNG
(1-[5-(4,5-Dicyclohexyl-1H-imidazol-2-ylsulfanyl)-p...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C2CCCCC2)c([nH]1)C1CCCCC1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H52F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h20-21,25-27H,2-19,22-24H2,1H3,(H,37,41)(H,38,39)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.


J Med Chem 38: 1067-83 (1995)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033974
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-dipropyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(CCC)c(CCC)[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H44F2N4OS/c1-4-7-8-9-11-18-34(28(35)33-24-17-16-22(29)21-23(24)30)19-12-10-13-20-36-27-31-25(14-5-2)26(32-27)15-6-3/h16-17,21H,4-15,18-20H2,1-3H3,(H,31,32)(H,33,35)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.


J Med Chem 38: 1067-83 (1995)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair