BDBM50412372 CHEMBL459678

SMILES: CC(C)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=CIRUSYHNUVVFKN-VGKBRBPRSA-M

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 = 50412372   

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)	BDBM50412372 (CHEMBL459678) Show SMILES CC(C)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H26N6O8S/c1-11(2)7-22-18-15-19(24-9-23-18)27(10-25-15)21-17(30)16(29)14(35-21)8-34-36(32,33)26-20(31)12-5-3-4-6-13(12)28/h3-6,9-11,14,16-17,21,29-30H,7-8H2,1-2H3,(H3,22,23,24,26,28,31)/p-1/t14-,16-,17-,21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+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