BDBM50404418 CHEMBL26174

SMILES: CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1

InChI Key: InChIKey=BNRQGXQNJUJKJA-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 = 50404418   

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))	BDBM50404418 (CHEMBL26174) Show SMILES CC1CCN(C(C1)C(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2ccc(C)cc2c1 Show InChI InChI=1S/C24H33N5O5S/c1-15-5-6-17-7-8-19(14-18(17)12-15)35(33,34)28-20(4-3-10-27-24(25)26)22(30)29-11-9-16(2)13-21(29)23(31)32/h5-8,12,14,16,20-21,28H,3-4,9-11,13H2,1-2H3,(H,31,32)(H4,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	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