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Compile Data Set for Download or QSAR

Found 5 hits of ec50 data for polymerid = 3387,7016   
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 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
AffyNet 
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))
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
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
AffyNet 
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
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
AffyNet 
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))
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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