BDBM50111715 CHEMBL19700::N-(2-Amino-4-methyl-pyrimidin-5-ylmethyl)-2-[3-(2,3-dihydro-benzo[1,4]dioxin-5-ylmethanesulfonylamino)-6-methyl-2-oxo-2H-pyridin-1-yl]-acetamide

SMILES: Cc1ccc(NS(=O)(=O)Cc2cccc3OCCOc23)c(=O)n1CC(=O)NCc1cnc(N)nc1C

InChI Key: InChIKey=KVEVKZQFTWGBHK-UHFFFAOYSA-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 = 50111715   

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))	BDBM50111715 (CHEMBL19700 | N-(2-Amino-4-methyl-pyrimidin-5-ylme...) Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc3OCCOc23)c(=O)n1CC(=O)NCc1cnc(N)nc1C Show InChI InChI=1S/C23H26N6O6S/c1-14-6-7-18(28-36(32,33)13-16-4-3-5-19-21(16)35-9-8-34-19)22(31)29(14)12-20(30)25-10-17-11-26-23(24)27-15(17)2/h3-7,11,28H,8-10,12-13H2,1-2H3,(H,25,30)(H2,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory constant against human thrombin (FIIa).				Bioorg Med Chem Lett 12: 1203-8 (2002) BindingDB Entry DOI: 10.7270/Q2PK0FGB
					More data for this Ligand-Target Pair