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BDBM50070098 CHEMBL3408028

SMILES: Cl.N=C(NCc1ccco1)Nc1ccc2CCCCc2n1

InChI Key: InChIKey=TYBWDPQQOPIKEB-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50070098   
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50070098
PNG
(CHEMBL3408028)
Show SMILES N=C(NCc1ccco1)Nc1ccc2CCCCc2n1
Show InChI InChI=1S/C15H18N4O/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.70E+4n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-2 adrenergic receptor in brain prefrontal cortex membrane assessed as inhibition of UK14304-induced [35S]-GTPgamma...


J Med Chem 58: 963-77 (2015)


Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P
More data for this
Ligand-Target Pair