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BDBM50171928 1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione::1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione::CHEMBL192592

SMILES: Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1

InChI Key: InChIKey=LKRFGEDFCXTMMZ-UHFFFAOYSA-N

Data: 5 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50171928
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione \|...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione \|...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of human carboxylesterase 1				Bioorg Med Chem 17: 149-64 (2008) Article DOI: 10.1016/j.bmc.2008.11.008 BindingDB Entry DOI: 10.7270/Q2JH3NFK
Kyoto University Curated by ChEMBL					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione \|...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Carboxylesterase 2 (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione \|...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI	NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	237	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50171928 (1,2-Bis-(5-bromo-thiophen-2-yl)-ethane-1,2-dione \|...) Show SMILES Brc1ccc(s1)C(=O)C(=O)c1ccc(Br)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of 1 mM acetylthiocholine (AcTCh) binding to human Acetylcholinesterase				J Med Chem 48: 5543-50 (2005) Article DOI: 10.1021/jm0504196 BindingDB Entry DOI: 10.7270/Q2FB52G3
St. Jude Children's Research Hospital Curated by ChEMBL					More data for this Ligand-Target Pair