BDBM50376547 CHEMBL256541

SMILES: NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O

InChI Key: InChIKey=PCKXOBFTBPFENG-AWEZNQCLSA-N

Data: 1 IC50

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 = 50376547   

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
Yersiniabactin siderophore biosynthetic protein (Yersinia pestis CA88-4125)	BDBM50376547 (CHEMBL256541) Show SMILES NC(=S)N1N=C(C[C@H]1c1ccc(O)cc1)c1ccccc1O |c:4| Show InChI InChI=1S/C16H15N3O2S/c17-16(22)19-14(10-5-7-11(20)8-6-10)9-13(18-19)12-3-1-2-4-15(12)21/h1-8,14,20-21H,9H2,(H2,17,22)/t14-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Weill Medical College of Cornell University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl group to HMWP2 protein				Bioorg Med Chem Lett 18: 2662-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.025 BindingDB Entry DOI: 10.7270/Q2W096TB
					More data for this Ligand-Target Pair