BDBM50406077 CHEMBL63667

SMILES: COc1cc(Cl)c(Cn2cc[nH]c2=S)c(Cl)c1

InChI Key: InChIKey=NCKLJOIDHZTVLQ-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 = 50406077   

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)	BDBM50406077 (CHEMBL63667) Show SMILES COc1cc(Cl)c(Cn2cc[nH]c2=S)c(Cl)c1 Show InChI InChI=1S/C11H10Cl2N2OS/c1-16-7-4-9(12)8(10(13)5-7)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+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))	BDBM50406077 (CHEMBL63667) Show SMILES COc1cc(Cl)c(Cn2cc[nH]c2=S)c(Cl)c1 Show InChI InChI=1S/C11H10Cl2N2OS/c1-16-7-4-9(12)8(10(13)5-7)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+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))	BDBM50406077 (CHEMBL63667) Show SMILES COc1cc(Cl)c(Cn2cc[nH]c2=S)c(Cl)c1 Show InChI InChI=1S/C11H10Cl2N2OS/c1-16-7-4-9(12)8(10(13)5-7)6-15-3-2-14-11(15)17/h2-5H,6H2,1H3,(H,14,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+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