BDBM50404387 CHEMBL24657

SMILES: COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O

InChI Key: InChIKey=VBGNIIGPQKKQBE-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 = 50404387   

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))	BDBM50404387 (CHEMBL24657) Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCCCCC1C(O)=O Show InChI InChI=1S/C24H33N5O6S/c1-35-18-10-8-16-9-11-19(15-17(16)14-18)36(33,34)28-20(6-5-12-27-24(25)26)22(30)29-13-4-2-3-7-21(29)23(31)32/h8-11,14-15,20-21,28H,2-7,12-13H2,1H3,(H,31,32)(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	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