BDBM50123481 2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylamino)-2-oxopyrazin-1(2H)-yl)-N-((3-fluoropyridin-2-yl)methyl)acetamide::2-[6-Cyano-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(3-fluoro-pyridin-2-ylmethyl)-acetamide::CHEMBL143024

SMILES: Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N

InChI Key: InChIKey=XOGVYUCFQVCXEC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50123481   

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))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	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
Prothrombin (Homo sapiens (Human))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of thrombin (unknown origin)				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of trypsin (unknown origin)				Eur J Med Chem 146: 299-317 (2018) Article DOI: 10.1016/j.ejmech.2018.01.067 BindingDB Entry DOI: 10.7270/Q2251MTJ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50123481 (2-(6-cyano-3-(2,2-difluoro-2-(pyridin-2-yl)ethylam...) Show SMILES Fc1cccnc1CNC(=O)Cn1c(cnc(NCC(F)(F)c2ccccn2)c1=O)C#N Show InChI InChI=1S/C20H16F3N7O2/c21-14-4-3-7-25-15(14)10-27-17(31)11-30-13(8-24)9-28-18(19(30)32)29-12-20(22,23)16-5-1-2-6-26-16/h1-7,9H,10-12H2,(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.13E+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