BindingDB logo
myBDB logout

null

SMILES: CC(=O)N1Cc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC3)nc2C=C1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50582443   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50582443
PNG
(CHEMBL5077087)
Show SMILES CC(=O)N1Cc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC3)nc2C=C1 |c:34|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<6.31E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair
G-protein coupled receptor 6


(Homo sapiens (Human))
BDBM50582443
PNG
(CHEMBL5077087)
Show SMILES CC(=O)N1Cc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC3CC3)nc2C=C1 |c:34|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.40E+4n/an/an/an/a


TBA

Assay 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 assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02081
BindingDB Entry DOI: 10.7270/Q2JW8JSH
More data for this
Ligand-Target Pair