BDBM50404386 CHEMBL285102

SMILES: COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=LNLSOYAZTUDAOY-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 = 50404386   

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))	BDBM50404386 (CHEMBL285102) Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C21H29N5O6S/c1-32-13-12-26(14-19(27)28)20(29)17(9-5-11-24-21(22)23)25-33(30,31)18-10-4-7-15-6-2-3-8-16(15)18/h2-4,6-8,10,17,25H,5,9,11-14H2,1H3,(H,27,28)(H4,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	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 that of the control by inhibiting thrombin				J Med Chem 23: 1293-9 (1981) BindingDB Entry DOI: 10.7270/Q2GQ6ZX5
					More data for this Ligand-Target Pair