BDBM50301560 CHEMBL568541::N-(4-carbamimidoylbenzyl)-2-(1-(4-chloro-2-fluorophenylsulfonamido)-4-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)acetamide

SMILES: CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1ccc(Cl)cc1F

InChI Key: InChIKey=UCDXAUOEYGAFSO-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 = 50301560   

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))	BDBM50301560 (CHEMBL568541 | N-(4-carbamimidoylbenzyl)-2-(1-(4-c...) Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1ccc(Cl)cc1F |c:1| Show InChI InChI=1S/C22H23ClFN5O4S/c1-13-8-9-29(28-34(32,33)19-7-6-16(23)10-18(19)24)22(31)17(13)11-20(30)27-12-14-2-4-15(5-3-14)21(25)26/h2-7,10,28H,8-9,11-12H2,1H3,(H3,25,26)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 19: 5429-32 (2009) Article DOI: 10.1016/j.bmcl.2009.07.107 BindingDB Entry DOI: 10.7270/Q2MP53BQ
					More data for this Ligand-Target Pair