BDBM50014978 1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imidazole-2-thione::CHEMBL433493

SMILES: Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F

InChI Key: InChIKey=UCQCUJWREUJRPA-UHFFFAOYSA-N

Data: 1 KI  5 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 = 50014978   

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 (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	4.5	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate				J Med Chem 29: 887-9 (1986) BindingDB Entry DOI: 10.7270/Q2JH3K55
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Homo sapiens (Human))	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74.1	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 (Rattus norvegicus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	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))	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74.1	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
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine dopamine beta-hydroxylase(DBH)				J Med Chem 33: 781-9 (1990) BindingDB Entry DOI: 10.7270/Q2DZ078G
					More data for this Ligand-Target Pair
Dopamine beta-hydroxylase (Bos taurus)	BDBM50014978 (1-(3,5-Difluoro-4-hydroxy-benzyl)-1,3-dihydro-imid...) Show SMILES Oc1c(F)cc(Cn2cc[nH]c2=S)cc1F Show InChI InChI=1S/C10H8F2N2OS/c11-7-3-6(4-8(12)9(7)15)5-14-2-1-13-10(14)16/h1-4,15H,5H2,(H,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (0.060-0.0877).				J Med Chem 30: 486-94 (1987) BindingDB Entry DOI: 10.7270/Q2FJ2FSM
					More data for this Ligand-Target Pair