BDBM339892 US9757383, Example 17::trans-4-[{3-[5-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)-1H-1,2,3-benzotriazol-1-yl]propyl}(methyl)amino]cyclohexyl (2S-cyclopentyl(hydroxy)-2-thienylacetate

SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)c1ccsc1[C@](O)(C1CCCC1)C([O-])=O

InChI Key InChIKey=DKTWKXDPNDGOBL-UHFFFAOYSA-M

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 339892   

TargetBeta-2 adrenergic receptor(Human)
Almirall

US Patent
LigandPNGBDBM339892(US9757383, Example 17 | trans-4-[{3-[5-({[(2R)-2-h...)
Affinity DataIC50: 13nMAssay Description:The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2019
Entry Details
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TargetMuscarinic acetylcholine receptor M3(Human)
Almirall

US Patent
LigandPNGBDBM339892(US9757383, Example 17 | trans-4-[{3-[5-({[(2R)-2-h...)
Affinity DataIC50: 0.600nMAssay Description:The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2019
Entry Details
Go to US Patent