BDBM50404450 CHEMBL26228

SMILES: CCCCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1

InChI Key: InChIKey=KIAIEPRCJWXWOW-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 = 50404450   

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))	BDBM50404450 (CHEMBL26228) Show SMILES CCCCCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc(OC)c(OC)cc2c1 Show InChI InChI=1S/C26H39N5O7S/c1-4-5-6-7-13-31(17-24(32)33)25(34)21(9-8-12-29-26(27)28)30-39(35,36)20-11-10-18-15-22(37-2)23(38-3)16-19(18)14-20/h10-11,14-16,21,30H,4-9,12-13,17H2,1-3H3,(H,32,33)(H4,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	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