BindingDB logo
myBDB logout

BDBM50212995 CHEMBL75030

SMILES: C1CN=C(NC2CCCc3ccccc23)O1

InChI Key: InChIKey=FXNNPMSELIMMHU-UHFFFAOYSA-N

Data: 6 KI  3 EC50

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 9 hits for monomerid = 50212995   
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)
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-2B adrenergic receptor by the displacement of [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-2A adrenergic receptor by the displacement of [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-2C adrenergic receptor by the displacement of [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

126n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-1C adrenergic receptor by the displacement of [3H]prazosin


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

204n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-1A adrenergic receptor by the displacement of [3H]prazosin


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

1.00E+14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards human Alpha-1B adrenergic receptor by the displacement of [3H]prazosin


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens)
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 3.5n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2B adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 2.20n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2C adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details
More data for this
Ligand-Target Pair