BDBM50443771 CHEMBL3094103

SMILES: Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=ZGNUDICPTLIEJN-ICGCDAGXSA-N

Data: 1 Kd

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 = 50443771   

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-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Burkholderia pseudomallei (strain K96243))	BDBM50443771 (CHEMBL3094103) Show SMILES Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C16H18N6O5S/c17-10-1-2-22(15(26)20-10)14-13(25)12(24)9(27-14)6-18-11(23)5-8-7-21-3-4-28-16(21)19-8/h1-4,7,9,12-14,24-25H,5-6H2,(H,18,23)(H2,17,20,26)/t9-,12-,13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	n/a
Northern Illinois University Curated by ChEMBL					Assay Description Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance method				Bioorg Med Chem Lett 23: 6860-3 (2013) Article DOI: 10.1016/j.bmcl.2013.09.101 BindingDB Entry DOI: 10.7270/Q2NC62NX
					More data for this Ligand-Target Pair