BDBM50126528 2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-2-yl}-3-(4-bromo-phenylsulfanyl)-propionic acid methyl ester::CHEMBL36012

SMILES COC(=O)C(CSc1ccc(Br)cc1)n1c(=O)n2CC=CC(C(=O)NC[C@H]3CC[C@H](N)CC3)n2c1=O

InChI Key InChIKey=IKBZDWWNNBGABU-GKTFFFRKSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126528   

TargetProthrombin(Homo sapiens (Human))
Molecumetics

Curated by ChEMBL
LigandPNGBDBM50126528(2-{5-[(4-Amino-cyclohexylmethyl)-carbamoyl]-1,3-di...)
Affinity DataKi:  0.0230nMAssay Description:Inhibitory activity of the compound against human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed