BDBM50404576 CHEMBL167767

SMILES: CCOc1cc2ccc(cc2cc1OCC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC)CC1

InChI Key: InChIKey=XQBPVHUHVSHNDP-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 = 50404576   

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))	BDBM50404576 (CHEMBL167767) Show SMILES CCOc1cc2ccc(cc2cc1OCC)S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CC)CC1 Show InChI InChI=1S/C27H41N5O5S/c1-4-19-11-14-32(15-12-19)26(33)23(8-7-13-30-27(28)29)31-38(34,35)22-10-9-20-17-24(36-5-2)25(37-6-3)18-21(20)16-22/h9-10,16-19,23,31H,4-8,11-15H2,1-3H3,(H4,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Bovine thrombin concentration at which clotting time was prolonged 2x over the control.				J Med Chem 23: 830-6 (1980) BindingDB Entry DOI: 10.7270/Q2FQ9XT7
					More data for this Ligand-Target Pair