BDBM50082604 CHEMBL140686::N-(2-{1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-piperidin-4-yl}-ethyl)-succinamic acid

SMILES: CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCNC(=O)CCC(O)=O)CC1

InChI Key: InChIKey=VKVBEQZWKRSUIO-UHFFFAOYSA-N

Data: 1 KI

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 = 50082604   

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))	BDBM50082604 (CHEMBL140686 | N-(2-{1-[5-Guanidino-2-(3-methyl-1,...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)NC(CCCNC(N)=N)C(=O)N1CCC(CCNC(=O)CCC(O)=O)CC1 Show InChI InChI=1S/C27H43N7O6S/c1-18-16-20-4-2-6-22(25(20)32-17-18)41(39,40)33-21(5-3-12-31-27(28)29)26(38)34-14-10-19(11-15-34)9-13-30-23(35)7-8-24(36)37/h2,4,6,18-19,21,32-33H,3,5,7-17H2,1H3,(H,30,35)(H,36,37)(H4,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin				J Med Chem 42: 4584-603 (1999) BindingDB Entry DOI: 10.7270/Q28G8MDS
					More data for this Ligand-Target Pair