BDBM50119454 CHEMBL3140272

SMILES [H][C@]12CS[C@@H](CCCCC(=O)NS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2

InChI Key InChIKey=RSZBCKJLQVSFKT-RHCAYAJFSA-N

Data  1 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50119454   

TargetBiotin--[biotin carboxyl-carrier protein] ligase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119454(CHEMBL3140272)
Affinity DataKd:  0.865nMAssay Description:Binding affinity to Mycobacterium tuberculosis H37Rv Biotin protein ligase expressed in Escherichia coli by ITC analysisMore data for this Ligand-Target Pair
TargetAdenosine 5'-monophosphoramidase HINT1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119454(CHEMBL3140272)
Affinity DataKd:  320nMAssay Description:Binding affinity to His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
TargetAdenosine 5'-monophosphoramidase HINT1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM50119454(CHEMBL3140272)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of His-tagged human full length HINT1 expressed in Rosetta2 pLysS cells using TrpAMP as substrate measured for 2 to 30 mins by fluorescenc...More data for this Ligand-Target Pair