BDBM50404385 CHEMBL26340

SMILES: COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1

InChI Key: InChIKey=XNCCEUAAOQOXSR-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 = 50404385   

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))	BDBM50404385 (CHEMBL26340) Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1 Show InChI InChI=1S/C22H31N5O6S/c1-15-5-6-16-7-8-18(13-17(16)12-15)34(31,32)26-19(4-3-9-25-22(23)24)21(30)27(10-11-33-2)14-20(28)29/h5-8,12-13,19,26H,3-4,9-11,14H2,1-2H3,(H,28,29)(H4,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	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