BDBM50117077 3-[4-(3-Amino-propoxy)-3,5-dibromo-phenyl]-N-(4-carbamimidoyl-butyl)-2-[(E)-hydroxyimino]-propionamide::CHEMBL79781

SMILES: NCCCOc1c(Br)cc(CC(N=O)C(=O)NCCCCC(N)=N)cc1Br

InChI Key: InChIKey=BXICINMAAGMXTA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50117077   

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
Mycothiol S-conjugate amidase (Mycobacterium tuberculosis)	BDBM50117077 (3-[4-(3-Amino-propoxy)-3,5-dibromo-phenyl]-N-(4-ca...) Show SMILES NCCCOc1c(Br)cc(CC(N=O)C(=O)NCCCCC(N)=N)cc1Br Show InChI InChI=1S/C17H25Br2N5O3/c18-12-8-11(9-13(19)16(12)27-7-3-5-20)10-14(24-26)17(25)23-6-2-1-4-15(21)22/h8-9,14H,1-7,10,20H2,(H3,21,22)(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of Mycothiol -S-conjugate amidase (MCA) from mycobacterium tuberculosis				Bioorg Med Chem Lett 12: 2487-90 (2002) BindingDB Entry DOI: 10.7270/Q2XD111C
					More data for this Ligand-Target Pair