BDBM50412378 CHEMBL608845

SMILES: Nc1ncnc2n(ccc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O

InChI Key: InChIKey=SOQZLCFVRXTYMA-UHFFFAOYSA-N

Data: 1 KI

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 = 50412378   

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
2,3-dihydroxybenzoate-AMP ligase (Mycobacterium tuberculosis)	BDBM50412378 (CHEMBL608845) Show SMILES Nc1ncnc2n(ccc12)C1OC(COS(=O)(=O)NC(=O)c2ccccc2O)C(O)C1O Show InChI InChI=1S/C18H19N5O8S/c19-15-10-5-6-23(16(10)21-8-20-15)18-14(26)13(25)12(31-18)7-30-32(28,29)22-17(27)9-3-1-2-4-11(9)24/h1-6,8,12-14,18,24-26H,7H2,(H,22,27)(H2,19,20,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay				J Med Chem 51: 5349-70 (2008) Article DOI: 10.1021/jm800567v BindingDB Entry DOI: 10.7270/Q2BZ66X7
					More data for this Ligand-Target Pair