BDBM50126634 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-methylphenyl quinoline-8-sulfonate::CHEMBL37889

SMILES: Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1

InChI Key: InChIKey=LJKJQNLEYFOZHU-UHFFFAOYSA-N

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 = 50126634   

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
Prothrombin (Homo sapiens (Human))	BDBM50126634 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...) Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2cccc3cccnc23)c1 Show InChI InChI=1S/C20H22N4O5S/c1-14-11-16(27-9-4-10-28-24-20(21)22)13-17(12-14)29-30(25,26)18-7-2-5-15-6-3-8-23-19(15)18/h2-3,5-8,11-13H,4,9-10H2,1H3,(H4,21,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against alpha-human thrombin				Bioorg Med Chem Lett 13: 1495-8 (2003) BindingDB Entry DOI: 10.7270/Q2668CJ9
					More data for this Ligand-Target Pair