BDBM50406085 CHEMBL308667

SMILES: COc1ccc(Cn2cc[nH]c2=S)cc1OC

InChI Key: InChIKey=IVZGKMMSYZQFNM-UHFFFAOYSA-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 = 50406085   

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
Dopamine beta-hydroxylase (Rattus norvegicus)	BDBM50406085 (CHEMBL308667) Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1OC Show InChI InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-6-5-13-12(14)17/h3-7H,8H2,1-2H3,(H,13,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois Curated by ChEMBL					Assay Description Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally				J Med Chem 33: 274-81 (1990) BindingDB Entry DOI: 10.7270/Q26Q1ZD2
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Homo sapiens (Human))	BDBM50406085 (CHEMBL308667) Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1OC Show InChI InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-6-5-13-12(14)17/h3-7H,8H2,1-2H3,(H,13,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Simulations Inc Curated by ChEMBL					Assay Description Inhibition of dopamine beta hydroxylase				J Med Chem 38: 2091-102 (1995) BindingDB Entry DOI: 10.7270/Q2W37XH8
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Homo sapiens (Human))	BDBM50406085 (CHEMBL308667) Show SMILES COc1ccc(Cn2cc[nH]c2=S)cc1OC Show InChI InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-6-5-13-12(14)17/h3-7H,8H2,1-2H3,(H,13,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair