BDBM50444965 CHEMBL3099904

SMILES: CN1[C@H](SC[C@H]1C(O)=O)[C@H]1CSC(=N1)c1ccccc1O

InChI Key: InChIKey=NYBZAGXTZXPYND-GBIKHYSHSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50444965   

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
Fe(3+)-pyochelin receptor (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50444965 (CHEMBL3099904) Show SMILES CN1[C@H](SC[C@H]1C(O)=O)[C@H]1CSC(=N1)c1ccccc1O |r,c:13| Show InChI InChI=1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/t9-,10+,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR 7242 CNRS-Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of Pch-55Fe(III) from Pseudomonas aeruginosa PAD07 FptA after 1 hr in presence of CCCP				Bioorg Med Chem Lett 24: 132-5 (2013) Article DOI: 10.1016/j.bmcl.2013.11.054 BindingDB Entry DOI: 10.7270/Q2J38V1F
					More data for this Ligand-Target Pair