BDBM11991 8-{N-[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phenyl]carboximidoyl}-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid::chemical diversity library compound 16

SMILES: OC(=O)c1cc2COCOc2c(C=Nc2ccc(cc2)S(=O)(=O)NC2SCC=N2)c1

InChI Key: InChIKey=MNYLDMABQDFESN-UHFFFAOYSA-N

Data: 1 KI  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 = 11991   

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
Anthrax Lethal Factor (LF) (Bacillus anthracis)	BDBM11991 (8-{N-[4-(2,3-dihydro-1,3-thiazol-2-ylsulfamoyl)phe...) Show SMILES OC(=O)c1cc2COCOc2c(C=Nc2ccc(cc2)S(=O)(=O)NC2SCC=N2)c1 |w:13.14,c:29| Show InChI InChI=1S/C19H17N3O6S2/c23-18(24)12-7-13(17-14(8-12)10-27-11-28-17)9-21-15-1-3-16(4-2-15)30(25,26)22-19-20-5-6-29-19/h1-5,7-9,19,22H,6,10-11H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	-7.88	8.70E+3	n/a	n/a	n/a	n/a	7.2	27
Montana State University					Assay Description For selected lead compounds from fluorescence-based high-throughput screening, Km and Vmax were calculated using the double-reciprocal Lineweaver-Bur...				J Med Chem 49: 5232-44 (2006) Article DOI: 10.1021/jm0605132 BindingDB Entry DOI: 10.7270/Q20C4T19
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