BDBM50404529 CHEMBL354968

SMILES: COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=HDPZLIWGFFLEID-UHFFFAOYSA-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 = 50404529   

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
Thrombin (Bos taurus (Bovine))	BDBM50404529 (CHEMBL354968) Show SMILES COC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C14H22N4O5S/c1-22-10-5-7-11(8-6-10)24(20,21)18-12(13(19)23-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration at which the clotting time was prolonged by twice the control was determined using topical bovine thrombin				J Med Chem 23: 827-30 (1980) BindingDB Entry DOI: 10.7270/Q2KH0PH2
					More data for this Ligand-Target Pair