BDBM50195762 CHEMBL227761::N-{(S)-1-[4-(12-amino-dodecyl)-piperazine-1-carbonyl]-4-guanidino-butyl}-3-methyl-benzenesulfonamide

SMILES: [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6]-1

InChI Key: InChIKey=YLKXCKRRFWSJPO-MHZLTWQESA-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 = 50195762   

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))	BDBM50195762 (CHEMBL227761 | N-{(S)-1-[4-(12-amino-dodecyl)-pipe...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6]-1 Show InChI InChI=1S/C29H53N7O3S/c1-25-14-12-15-26(24-25)40(38,39)34-27(16-13-18-33-29(31)32)28(37)36-22-20-35(21-23-36)19-11-9-7-5-3-2-4-6-8-10-17-30/h12,14-15,24,27,34H,2-11,13,16-23,30H2,1H3,(H4,31,32,33)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
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