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2 similar compounds to monomer 50450337

Compile data set for download or QSAR
Wt: 474.6
BDBM50450335
Wt: 488.6
BDBM50450323

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50450335,50450323   
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)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 500n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450335
PNG
(CHEMBL416998)
Show SMILES CCCCCCN(CCCCCSc1nc2ccccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C25H32F2N4OS/c1-2-3-4-8-15-31(25(32)30-21-14-13-19(26)18-20(21)27)16-9-5-10-17-33-24-28-22-11-6-7-12-23(22)29-24/h6-7,11-14,18H,2-5,8-10,15-17H2,1H3,(H,28,29)(H,30,32)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 3.10E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50450323
PNG
(CHEMBL46017)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.00E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450323
PNG
(CHEMBL46017)
Show SMILES CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.06E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair