BDBM50124086 2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)-acetamide::CHEMBL355314

SMILES: Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1

InChI Key: InChIKey=YTKUDXQPZJABDC-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 = 50124086   

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))	BDBM50124086 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Thrombin				Bioorg Med Chem Lett 13: 795-8 (2003) BindingDB Entry DOI: 10.7270/Q29C6WSJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124086 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	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 human thrombin assessed as release of p-nitroanilide from chromogenic substrate				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))	BDBM50124086 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.00E+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 human trypsin assessed as release of p-nitroanilide from chromogenic substrate				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))	BDBM50124086 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+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 Inhibition of Trypsin				Bioorg Med Chem Lett 13: 795-8 (2003) BindingDB Entry DOI: 10.7270/Q29C6WSJ
					More data for this Ligand-Target Pair