BDBM50604142 CHEMBL5180776

SMILES COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)cc1C

InChI Key InChIKey=WKLBGGMXGXAZKZ-UHFFFAOYSA-N

Data  1 KI  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 3 hits for monomerid = 50604142   

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50604142(CHEMBL5180776)
Affinity DataIC50: 490nMAssay Description:Inhibition of bacterially expressed GST-Xa-tagged human AAK1 using 5-FAM-labelled Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incubated for 3 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50604142(CHEMBL5180776)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetAP2-associated protein kinase 1(Mouse)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50604142(CHEMBL5180776)
Affinity DataKi:  41nMAssay Description:Displacement of 3H-LP-927443 from AAK1 in C57BL6 mouse brain homogenate assessed as inhibition constant incubated for 1 hr by liquid scintillation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed