BDBM50177427 CHEMBL558589::N-((2-aminopyridin-4-yl)methyl)-2-(3-(2-chlorophenylsulfonamido)-2-hydroxy-6-methylphenyl)acetamide hydrochloride

SMILES: Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(O)c1CC(=O)NCc1ccnc(N)c1

InChI Key: InChIKey=KYPUGWPJMVECQB-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 = 50177427   

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))	BDBM50177427 (CHEMBL558589 | N-((2-aminopyridin-4-yl)methyl)-2-(...) Show SMILES Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(O)c1CC(=O)NCc1ccnc(N)c1 Show InChI InChI=1S/C21H21ClN4O4S/c1-13-6-7-17(26-31(29,30)18-5-3-2-4-16(18)22)21(28)15(13)11-20(27)25-12-14-8-9-24-19(23)10-14/h2-10,26,28H,11-12H2,1H3,(H2,23,24)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 16: 1032-6 (2006) Article DOI: 10.1016/j.bmcl.2005.10.082 BindingDB Entry DOI: 10.7270/Q2V125K5
					More data for this Ligand-Target Pair