BDBM50107471 (S)-1-[2-(Naphthalene-2-sulfonylamino)-acetyl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL145896

SMILES: NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=YQQRSYVPRXZCOF-IBGZPJMESA-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 = 50107471   

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
Prothrombin (Homo sapiens (Human))	BDBM50107471 ((S)-1-[2-(Naphthalene-2-sulfonylamino)-acetyl]-pyr...) Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H30N6O4S/c23-22(24)26-12-4-3-11-25-21(30)19-8-5-13-28(19)20(29)15-27-33(31,32)18-10-9-16-6-1-2-7-17(16)14-18/h1-2,6-7,9-10,14,19,27H,3-5,8,11-13,15H2,(H,25,30)(H4,23,24,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against hydrolysis of human alpha thrombin				Bioorg Med Chem Lett 12: 45-9 (2001) BindingDB Entry DOI: 10.7270/Q2GX4C3P
					More data for this Ligand-Target Pair