BDBM50235528 CHEMBL537894::N-((2-aminopyridin-4-yl)methyl)-2-(1-(4-ethylphenylsulfonamido)-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide hydrochloride

SMILES: CCc1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccnc(N)c2)c1=O

InChI Key: InChIKey=ULXQFNXGRHZIIV-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 = 50235528   

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))	BDBM50235528 (CHEMBL537894 | N-((2-aminopyridin-4-yl)methyl)-2-(...) Show SMILES CCc1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccnc(N)c2)c1=O Show InChI InChI=1S/C22H25N5O4S/c1-3-16-4-6-18(7-5-16)32(30,31)26-27-11-9-15(2)19(22(27)29)13-21(28)25-14-17-8-10-24-20(23)12-17/h4-12,26H,3,13-14H2,1-2H3,(H2,23,24)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 18: 1972-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.122 BindingDB Entry DOI: 10.7270/Q2833SV0
					More data for this Ligand-Target Pair