BDBM50083969 3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}propyl)oxy]-5-methylphenyl 2-chlorobenzenesulfonate::CHEMBL338444

SMILES: Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI Key: InChIKey=XFNCYOGGBYFMJD-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 = 50083969   

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))	BDBM50083969 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2Cl)c1 |w:8.8| Show InChI InChI=1S/C17H19ClN4O4S/c1-12-9-13(25-8-4-7-21-22-17(19)20)11-14(10-12)26-27(23,24)16-6-3-2-5-15(16)18/h2-3,5-7,9-11H,4,8H2,1H3,(H4,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair