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BDBM50476174 CHEMBL222798

SMILES: CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1

InChI Key: InChIKey=LFMHROBTZOFVNB-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50476174   
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50476174
PNG
(CHEMBL222798)
Show SMILES CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-10-11-19-17)21-16-5-3-2-4-15(16)13-6-8-14(20)9-7-13/h2-9,12,20H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 47: 6160-73 (2004)


Article DOI: 10.1021/jm0408215
BindingDB Entry DOI: 10.7270/Q2B27Z13
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50476174
PNG
(CHEMBL222798)
Show SMILES CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-10-11-19-17)21-16-5-3-2-4-15(16)13-6-8-14(20)9-7-13/h2-9,12,20H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 47: 6160-73 (2004)


Article DOI: 10.1021/jm0408215
BindingDB Entry DOI: 10.7270/Q2B27Z13
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50476174
PNG
(CHEMBL222798)
Show SMILES CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|
Show InChI InChI=1S/C17H18N2O2/c1-12(17-18-10-11-19-17)21-16-5-3-2-4-15(16)13-6-8-14(20)9-7-13/h2-9,12,20H,10-11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 47: 6160-73 (2004)


Article DOI: 10.1021/jm0408215
BindingDB Entry DOI: 10.7270/Q2B27Z13
More data for this
Ligand-Target Pair