BDBM50390436 CHEMBL2071351

SMILES: COc1cc(OC)c(\C=C\c2ccc(SC)cc2)cc1OC

InChI Key: InChIKey=DORXQBONJLBEDF-VMPITWQZSA-N

Data: 3 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 3 hits for monomerid = 50390436   

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))	BDBM50390436 (CHEMBL2071351) Show SMILES COc1cc(OC)c(\C=C\c2ccc(SC)cc2)cc1OC Show InChI InChI=1S/C18H20O3S/c1-19-16-12-18(21-3)17(20-2)11-14(16)8-5-13-6-9-15(22-4)10-7-13/h5-12H,1-4H3/b8-5+	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Poznan University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay				Bioorg Med Chem 20: 5117-26 (2012) Article DOI: 10.1016/j.bmc.2012.07.012 BindingDB Entry DOI: 10.7270/Q251408M
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50390436 (CHEMBL2071351) Show SMILES COc1cc(OC)c(\C=C\c2ccc(SC)cc2)cc1OC Show InChI InChI=1S/C18H20O3S/c1-19-16-12-18(21-3)17(20-2)11-14(16)8-5-13-6-9-15(22-4)10-7-13/h5-12H,1-4H3/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Poznan University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1B1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay				Bioorg Med Chem 20: 5117-26 (2012) Article DOI: 10.1016/j.bmc.2012.07.012 BindingDB Entry DOI: 10.7270/Q251408M
					More data for this Ligand-Target Pair
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50390436 (CHEMBL2071351) Show SMILES COc1cc(OC)c(\C=C\c2ccc(SC)cc2)cc1OC Show InChI InChI=1S/C18H20O3S/c1-19-16-12-18(21-3)17(20-2)11-14(16)8-5-13-6-9-15(22-4)10-7-13/h5-12H,1-4H3/b8-5+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Poznan University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assay				Bioorg Med Chem 20: 5117-26 (2012) Article DOI: 10.1016/j.bmc.2012.07.012 BindingDB Entry DOI: 10.7270/Q251408M
					More data for this Ligand-Target Pair