BDBM50124097 CHEMBL422387::N-(1H-Indol-5-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide

SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1

InChI Key: InChIKey=LJKDPVVOUWUHCQ-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 = 50124097   

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))	BDBM50124097 (CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	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))	BDBM50124097 (CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	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))	BDBM50124097 (CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+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))	BDBM50124097 (CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...) Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+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