BDBM50067798 CHEMBL336438::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
SMILES: C[C@H](Cc1ccccc1)Nc1ncc(C)n(CC(=O)NCc2ccc(N)nc2C)c1=O
InChI Key: InChIKey=CSUUJQTUQNIXIU-OAHLLOKOSA-N
Data: 2 KI
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)) | BDBM50067798 (CHEMBL336438 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.520 | 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 activity of the compound against thrombin (IIa) was determined | J Med Chem 41: 4466-74 (1998) Article DOI: 10.1021/jm980368v BindingDB Entry DOI: 10.7270/Q2KK99X0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50067798 (CHEMBL336438 | N-(6-Amino-2-methyl-pyridin-3-ylmet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.50E+3 | 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 activity of the compound against trypsin was determined | J Med Chem 41: 4466-74 (1998) Article DOI: 10.1021/jm980368v BindingDB Entry DOI: 10.7270/Q2KK99X0 | |||||||||||
More data for this Ligand-Target Pair |