BDBM50404509 CHEMBL170274

SMILES: CCC(COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1cccc2c(cccc12)N(C)C)[N+]([O-])=O

InChI Key: InChIKey=MNBQMQKMKVHGNZ-UHFFFAOYSA-O

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 = 50404509   

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))	BDBM50404509 (CHEMBL170274) Show SMILES CCC(COC(=O)C(CCC[N-]C(N)=[NH2+])NS(=O)(=O)c1cccc2c(cccc12)N(C)C)[N+]([O-])=O Show InChI InChI=1S/C22H31N6O6S/c1-4-15(28(30)31)14-34-21(29)18(10-7-13-25-22(23)24)26-35(32,33)20-12-6-8-16-17(20)9-5-11-19(16)27(2)3/h5-6,8-9,11-12,15,18,26H,4,7,10,13-14H2,1-3H3,(H3-,23,24,25)/q-1/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	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