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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 263.2
BDBM50115730
Wt: 284.6
BDBM50233198
Wt: 277.3
BDBM50233189
Wt: 297.7
BDBM50233194
Wt: 281.2
BDBM50233190
Wt: 389.1
BDBM50233192
Wt: 342.1
BDBM50233191
Wt: 293.3
BDBM50233193

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 27 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233189
PNG
(CHEMBL4090451)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)19(2)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233189
PNG
(CHEMBL4090451)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)19(2)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233194
PNG
(CHEMBL4087100)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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UniChem

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Article
PubMed
13n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233191
PNG
(CHEMBL4095556)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
16n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233191
PNG
(CHEMBL4095556)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

KEGG

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Article
PubMed
17n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233193
PNG
(CHEMBL4062476)
Show SMILES COc1ccc(cc1)N(C)C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem

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Article
PubMed
18n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233194
PNG
(CHEMBL4087100)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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PubMed
19n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233198
PNG
(CHEMBL4082280)
Show SMILES Clc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H9ClO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
PDB

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PubMed
19n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50115730
PNG
(4-(Methyl-phenyl-amino)-[1,2]naphthoquinone | CHEM...)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO2/c1-18(12-7-3-2-4-8-12)15-11-16(19)17(20)14-10-6-5-9-13(14)15/h2-11H,1H3
PDB

KEGG

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CHEMBL
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UniChem

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Article
PubMed
32n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233190
PNG
(CHEMBL4104953)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C17H12FNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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PubMed
38n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233193
PNG
(CHEMBL4062476)
Show SMILES COc1ccc(cc1)N(C)C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50115730
PNG
(4-(Methyl-phenyl-amino)-[1,2]naphthoquinone | CHEM...)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO2/c1-18(12-7-3-2-4-8-12)15-11-16(19)17(20)14-10-6-5-9-13(14)15/h2-11H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
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UniChem

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Article
PubMed
90n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50233198
PNG
(CHEMBL4082280)
Show SMILES Clc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H9ClO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
NCI pathway
KEGG

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UniChem

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Article
PubMed
127n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233192
PNG
(CHEMBL4068175)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1
Show InChI InChI=1S/C17H12INO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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PubMed
148n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233190
PNG
(CHEMBL4104953)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C17H12FNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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UniChem

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Article
PubMed
163n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50233192
PNG
(CHEMBL4068175)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1
Show InChI InChI=1S/C17H12INO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

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Article
PubMed
284n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233192
PNG
(CHEMBL4068175)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1
Show InChI InChI=1S/C17H12INO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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Article
PubMed
400n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human liver CES1 expressed in baculovirus infected sf9 cells using oseltamivir as substrate


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Carboxylesterase 2


(Homo sapiens (Human))
BDBM50233191
PNG
(CHEMBL4095556)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
NCI pathway
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Article
PubMed
1.84E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human intestinal CES2 expressed in baculovirus infected sf9 cells using o-nitrophenyl acetate as substrate monitored at 15 secs interva...


J Med Chem 60: 1568-1579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01849
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233191
PNG
(CHEMBL4095556)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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PubMed
n/an/a 8.80n/an/an/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233194
PNG
(CHEMBL4087100)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

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PubMed
n/an/a 11n/an/an/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233189
PNG
(CHEMBL4090451)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(C)cc1
Show InChI InChI=1S/C18H15NO2/c1-12-7-9-13(10-8-12)19(2)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50115730
PNG
(4-(Methyl-phenyl-amino)-[1,2]naphthoquinone | CHEM...)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO2/c1-18(12-7-3-2-4-8-12)15-11-16(19)17(20)14-10-6-5-9-13(14)15/h2-11H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 3.49E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human protein-tyrosine phosphatase 1B (PTP1B) using fluoreacein diphosphate (FDP) as a substrate


Bioorg Med Chem Lett 12: 1941-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00331-1
BindingDB Entry DOI: 10.7270/Q2QZ2999
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233198
PNG
(CHEMBL4082280)
Show SMILES Clc1ccc(OC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H9ClO3/c17-10-5-7-11(8-6-10)20-15-9-14(18)16(19)13-4-2-1-3-12(13)15/h1-9H
PDB

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UniChem

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Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50115730
PNG
(4-(Methyl-phenyl-amino)-[1,2]naphthoquinone | CHEM...)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO2/c1-18(12-7-3-2-4-8-12)15-11-16(19)17(20)14-10-6-5-9-13(14)15/h2-11H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.650n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233193
PNG
(CHEMBL4062476)
Show SMILES COc1ccc(cc1)N(C)C1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C18H15NO3/c1-19(12-7-9-13(22-2)10-8-12)16-11-17(20)18(21)15-6-4-3-5-14(15)16/h3-11H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233192
PNG
(CHEMBL4068175)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(I)cc1
Show InChI InChI=1S/C17H12INO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.240n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase


(Homo sapiens (Human))
BDBM50233190
PNG
(CHEMBL4104953)
Show SMILES CN(C1=CC(=O)C(=O)c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C17H12FNO2/c1-19(12-8-6-11(18)7-9-12)15-10-16(20)17(21)14-5-3-2-4-13(14)15/h2-10H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.710n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay


J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
More data for this
Ligand-Target Pair