BDBM50267342 (S)-3-Amino-4-(1H-imidazol-4-yl)-1-(4-methoxy-phenyl)-butan-2-one; dihydrochloride::(S)-3-amino-4-(1H-imidazol-4-yl)-1-(4-methoxyphenyl)butan-2-one dihydrochloride::CHEMBL477467

SMILES: COc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1

InChI Key: InChIKey=WWYBTGFOVWRLDN-ZDUSSCGKSA-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 = 50267342   

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
Histidinol dehydrogenase (Brucella suis)	BDBM50267342 ((S)-3-Amino-4-(1H-imidazol-4-yl)-1-(4-methoxy-phen...) Show SMILES COc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C14H17N3O2/c1-19-12-4-2-10(3-5-12)6-14(18)13(15)7-11-8-16-9-17-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Université Montpellier II Curated by ChEMBL					Assay Description Inhibition of Brucella suis histidinol dehydrogenase				Antimicrob Agents Chemother 51: 3752-5 (2007) Article DOI: 10.1128/AAC.00572-07 BindingDB Entry DOI: 10.7270/Q24T6J58
					More data for this Ligand-Target Pair
Histidinol dehydrogenase (Brucella suis)	BDBM50267342 ((S)-3-Amino-4-(1H-imidazol-4-yl)-1-(4-methoxy-phen...) Show SMILES COc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C14H17N3O2/c1-19-12-4-2-10(3-5-12)6-14(18)13(15)7-11-8-16-9-17-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of Brucella suis histidinol dehydrogenase				Bioorg Med Chem 15: 4427-33 (2007) Article DOI: 10.1016/j.bmc.2007.04.027 BindingDB Entry DOI: 10.7270/Q2V125MM
					More data for this Ligand-Target Pair
Histidinol dehydrogenase (Brassica oleracea var. capitata)	BDBM50267342 ((S)-3-Amino-4-(1H-imidazol-4-yl)-1-(4-methoxy-phen...) Show SMILES COc1ccc(CC(=O)[C@@H](N)Cc2cnc[nH]2)cc1 |r| Show InChI InChI=1S/C14H17N3O2/c1-19-12-4-2-10(3-5-12)6-14(18)13(15)7-11-8-16-9-17-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17)/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Brassica oleracea (cabbage) histidinol dehydrogenase pre-incubated for 10 min before substrate histidinol addition by spectrophotometry				Bioorg Med Chem Lett 6: 2131-2136 (1996) Article DOI: 10.1016/0960-894X(96)00384-8 BindingDB Entry DOI: 10.7270/Q2D79BC7
					More data for this Ligand-Target Pair