BDBM50404544 CHEMBL355327

SMILES: CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c3ccccc3oc12

InChI Key: InChIKey=YOYJQOVLONZRHH-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 = 50404544   

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))	BDBM50404544 (CHEMBL355327) Show SMILES CCC1CCN(CC1)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1cccc2c3ccccc3oc12 Show InChI InChI=1S/C25H33N5O4S/c1-2-17-12-15-30(16-13-17)24(31)20(9-6-14-28-25(26)27)29-35(32,33)22-11-5-8-19-18-7-3-4-10-21(18)34-23(19)22/h3-5,7-8,10-11,17,20,29H,2,6,9,12-16H2,1H3,(H4,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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