BDBM50124091 2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)-acetamide::CHEMBL164333

SMILES: Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1

InChI Key: InChIKey=YXJCXONTCJFUIY-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 = 50124091   

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))	BDBM50124091 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C22H23N7O2/c1-15-12-27-21(25-10-7-16-4-2-3-9-23-16)22(31)29(15)14-20(30)26-13-17-5-6-18-19(28-17)8-11-24-18/h2-6,8-9,11-12,24H,7,10,13-14H2,1H3,(H,25,27)(H,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.20	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
Trypsin-1 (Homo sapiens (Human))	BDBM50124091 (2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...) Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C22H23N7O2/c1-15-12-27-21(25-10-7-16-4-2-3-9-23-16)22(31)29(15)14-20(30)26-13-17-5-6-18-19(28-17)8-11-24-18/h2-6,8-9,11-12,24H,7,10,13-14H2,1H3,(H,25,27)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+6	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