BDBM50123484 2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-N-(4-methyl-pyridin-2-ylmethyl)-acetamide::CHEMBL142224

SMILES: Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1

InChI Key: InChIKey=LVNOKAFNSBACSJ-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 = 50123484   

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))	BDBM50123484 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 Show InChI InChI=1S/C21H22F2N6O2/c1-14-6-8-24-16(9-14)11-26-18(30)12-29-15(2)10-27-19(20(29)31)28-13-21(22,23)17-5-3-4-7-25-17/h3-10H,11-13H2,1-2H3,(H,26,30)(H,27,28)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	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))	BDBM50123484 (2-[3-(2,2-Difluoro-2-pyridin-2-yl-ethylamino)-6-me...) Show SMILES Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 Show InChI InChI=1S/C21H22F2N6O2/c1-14-6-8-24-16(9-14)11-26-18(30)12-29-15(2)10-27-19(20(29)31)28-13-21(22,23)17-5-3-4-7-25-17/h3-10H,11-13H2,1-2H3,(H,26,30)(H,27,28)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.31E+5	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