BDBM50604134 CHEMBL5187778

SMILES COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)c1

InChI Key InChIKey=KPYMRFGAAXFXIK-FQEVSTJZSA-N

Data  1 KI  3 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 4 hits for monomerid = 50604134   

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

Curated by ChEMBL
LigandPNGBDBM50604134(CHEMBL5187778)
Affinity DataKi:  0.0900nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50604134(CHEMBL5187778)
Affinity DataIC50:  740nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50604134(CHEMBL5187778)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of full length human AAK1 expressed in HEK293F cells assessed as suppression of AP2 phosphorylation measured after 3 hrs by Western blot a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50604134(CHEMBL5187778)
Affinity DataIC50:  0.5nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed