BDBM50083968 3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}propyl)oxy]-5-methylphenyl 2-(trifluoromethyl)benzenesulfonate::CHEMBL435210

SMILES: Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1

InChI Key: InChIKey=RXLDFEBWIZLQDB-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 = 50083968   

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))	BDBM50083968 (3-[((3E)-3-{[(E)-amino(imino)methyl]hydrazono}prop...) Show SMILES Cc1cc(OCCC=NNC(N)=N)cc(OS(=O)(=O)c2ccccc2C(F)(F)F)c1 |w:8.8| Show InChI InChI=1S/C18H19F3N4O4S/c1-12-9-13(28-8-4-7-24-25-17(22)23)11-14(10-12)29-30(26,27)16-6-3-2-5-15(16)18(19,20)21/h2-3,5-7,9-11H,4,8H2,1H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	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