BDBM50582433 CHEMBL4763822

SMILES Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F

InChI Key InChIKey=RWZKAEHGFIQDFV-UHFFFAOYSA-N

Data  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50582433   

TargetCytochrome P450 2D6(Human)
Takeda California

Curated by ChEMBL

LigandBDBM50582433(CHEMBL4763822)Copy SMILESCopy InChI

Affinity DataIC50: 3.98E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/5/2023
Entry Details Article
Copy BDB DOIPubMed
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TargetG-protein coupled receptor 6(Human)
Takeda California

Curated by ChEMBL

LigandBDBM50582433(CHEMBL4763822)Copy SMILESCopy InChI

Affinity DataEC50:  5.10E+4nMAssay Description:Inverse agonist activity at human GPR6 expressed in CHO-K1 cells assessed as modulation of cAMP level incubated for 20 hrs by TR-FRET assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/5/2023
Entry Details Article
Copy BDB DOIPubMedPDB3D Structure (crystal)
Copy reaction URL