BDBM50412361 CHEMBL1627105

SMILES: Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=UUMZDHZILVETOE-LQLFOZJWSA-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 = 50412361   

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)	BDBM50412361 (CHEMBL1627105) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O)-c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H26N6O8S/c30-25-22-27(33-26(32-25)18-10-6-9-17(13-18)16-7-2-1-3-8-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-11-4-5-12-20(19)36/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39)/p-1/t21-,23-,24-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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