BDBM50123493 CHEMBL142566::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide

SMILES: CC(CNc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O)c1ccccc1

InChI Key: InChIKey=YZWURRGBTOVYDU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50123493   

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))	BDBM50123493 (CHEMBL142566 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES CC(CNc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O)c1ccccc1 Show InChI InChI=1S/C23H28N6O2/c1-15(18-7-5-4-6-8-18)11-26-22-23(31)29(16(2)12-27-22)14-21(30)25-13-19-9-10-20(24)28-17(19)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,24,28)(H,25,30)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against thrombin (IIa)				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50123493 (CHEMBL142566 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) Show SMILES CC(CNc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O)c1ccccc1 Show InChI InChI=1S/C23H28N6O2/c1-15(18-7-5-4-6-8-18)11-26-22-23(31)29(16(2)12-27-22)14-21(30)25-13-19-9-10-20(24)28-17(19)3/h4-10,12,15H,11,13-14H2,1-3H3,(H2,24,28)(H,25,30)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human trypsin				J Med Chem 46: 461-73 (2003) Article DOI: 10.1021/jm020311f BindingDB Entry DOI: 10.7270/Q2W958J5
					More data for this Ligand-Target Pair