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SMILES: [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50584884   
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
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of adrenergic alpha 2B receptor (unknown origin) assessed as binding constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of dopamine D5 receptor (unknown origin) assessed as binding constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sigma 2 receptor (unknown origin) assessed as binding constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of sigma 1 receptor (unknown origin) assessed as binding constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64.1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14R expressed in CHO cells preincubated for 30 mins followed by 6-amino-9-(2-carboxy-4-((6-(...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Homo sapiens (Human))
BDBM50584884
PNG
(CHEMBL5075741)
Show SMILES [H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of fluorescent antagonist binding to human P2Y14R expressed in CHO cells preincubated for 30 mins followed by 6-amino-9-(2-carboxy-4-((6-(...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01964
BindingDB Entry DOI: 10.7270/Q2611470
More data for this
Ligand-Target Pair