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11 similar compounds to monomer 50106703

Compile data set for download or QSAR
Wt: 406.5
BDBM50002953
Wt: 378.4
BDBM50106673
Wt: 392.5
BDBM50106674
Wt: 376.5
BDBM50106675
Wt: 362.5
BDBM50106677
Wt: 378.5
BDBM50106682
Wt: 420.5
BDBM50106683
Wt: 392.5
BDBM50106692
Wt: 390.5
BDBM50106694
Wt: 364.5
BDBM50106709
Wt: 406.5
BDBM50106710

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50002953,50106673,50106674,50106675,50106677,50106682,50106683,50106692,50106694,50106709,50106710   
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)
BDBM50106673
PNG
(6-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-hexanoic a...)
Show SMILES OC(=O)CCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C22H22N2O2S/c25-21(26)14-8-3-9-15-27-20-16-19(17-10-4-1-5-11-17)22(24-23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106674
PNG
(7-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-heptanoic ...)
Show SMILES OC(=O)CCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O2S/c26-22(27)15-9-1-2-10-16-28-21-17-20(18-11-5-3-6-12-18)23(25-24-21)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106675
PNG
(6-Octylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL33...)
Show SMILES CCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H28N2S/c1-2-3-4-5-6-13-18-27-23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106677
PNG
(6-Heptylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL1...)
Show SMILES CCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C23H26N2S/c1-2-3-4-5-12-17-26-22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106682
PNG
(6-(Heptane-1-sulfinyl)-3,4-diphenyl-pyridazine | C...)
Show SMILES CCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1/C23H26N2OS/c1-2-3-4-5-12-17-27(26)22-18-21(19-13-8-6-9-14-19)23(25-24-22)20-15-10-7-11-16-20/h6-11,13-16,18H,2-5,12,17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106710
PNG
(6-(Nonane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1/C25H30N2OS/c1-2-3-4-5-6-7-14-19-29(28)24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106692
PNG
(6-(Octane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1/C24H28N2OS/c1-2-3-4-5-6-13-18-28(27)23-19-22(20-14-9-7-10-15-20)24(26-25-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106694
PNG
(6-Nonylsulfanyl-3,4-diphenyl-pyridazine | CHEMBL33...)
Show SMILES CCCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H30N2S/c1-2-3-4-5-6-7-14-19-28-24-20-23(21-15-10-8-11-16-21)25(27-26-24)22-17-12-9-13-18-22/h8-13,15-18,20H,2-7,14,19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50002953
PNG
(8-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-octanoic a...)
Show SMILES OC(=O)CCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2S/c27-23(28)16-10-2-1-3-11-17-29-22-18-21(19-12-6-4-7-13-19)24(26-25-22)20-14-8-5-9-15-20/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106709
PNG
(6-(Hexane-1-sulfinyl)-3,4-diphenyl-pyridazine | CH...)
Show SMILES CCCCCCS(=O)c1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1/C22H24N2OS/c1-2-3-4-11-16-26(25)21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50106683
PNG
(9-(5,6-Diphenyl-pyridazin-3-ylsulfanyl)-nonanoic a...)
Show SMILES OC(=O)CCCCCCCCSc1cc(-c2ccccc2)c(nn1)-c1ccccc1
Show InChI InChI=1S/C25H28N2O2S/c28-24(29)17-11-3-1-2-4-12-18-30-23-19-22(20-13-7-5-8-14-20)25(27-26-23)21-15-9-6-10-16-21/h5-10,13-16,19H,1-4,11-12,17-18H2,(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
In vitro acyl-coenzyme A:cholesterol acyltransferase inhibition in rat liver microsomes


J Med Chem 44: 4292-5 (2001)


Article DOI: 10.1021/jm010807h
BindingDB Entry DOI: 10.7270/Q2W37VMS
More data for this
Ligand-Target Pair