BDBM50443774 CHEMBL3094106

SMILES: Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccnc4nc[nH]c34)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=KXIXXIKJCCIIIK-PMXXHBEXSA-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 = 50443774   

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))	BDBM50443774 (CHEMBL3094106) Show SMILES Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccnc4nc[nH]c34)[C@@H](O)[C@H]2O)c(=O)n1 |r| Show InChI InChI=1S/C16H17N7O5/c17-9-2-4-23(16(27)22-9)15-12(25)11(24)8(28-15)5-19-14(26)7-1-3-18-13-10(7)20-6-21-13/h1-4,6,8,11-12,15,24-25H,5H2,(H,19,26)(H2,17,22,27)(H,18,20,21)/t8-,11-,12-,15-/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	9.00E+4	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