BDBM50108048 (E)-2-(3,5-dimethoxystyryl)thiophene::2-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene::2-[2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene::CHEMBL42428

SMILES: COc1cc(OC)cc(\C=C\c2cccs2)c1

InChI Key: InChIKey=URRYDXXEGGXDQJ-AATRIKPKSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50108048   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2				J Med Chem 45: 160-4 (2001) BindingDB Entry DOI: 10.7270/Q2668CGD
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1				J Med Chem 45: 160-4 (2001) BindingDB Entry DOI: 10.7270/Q2668CGD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in Escherichia coli membranes co-expressing NADPH-P450 reductase assessed as reduction in ethoxyreso...				ACS Med Chem Lett 9: 1247-1252 (2018) Article DOI: 10.1021/acsmedchemlett.8b00409
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50108048 ((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...) Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1 Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1				J Med Chem 45: 160-4 (2001) BindingDB Entry DOI: 10.7270/Q2668CGD
					More data for this Ligand-Target Pair