BDBM50404511 CHEMBL166334

SMILES: CCCCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=TUXHRBSZMHUPKA-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 = 50404511   

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))	BDBM50404511 (CHEMBL166334) Show SMILES CCCCCCOC(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C24H37N5O4S/c1-4-5-6-7-17-33-23(30)20(13-10-16-27-24(25)26)28-34(31,32)22-15-9-11-18-19(22)12-8-14-21(18)29(2)3/h8-9,11-12,14-15,20,28H,4-7,10,13,16-17H2,1-3H3,(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+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 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