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BDBM50417349 CHEMBL1276248

SMILES: C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1

InChI Key: InChIKey=IAIZHDGEGFGNMO-NSHDSACASA-N

Data: 3 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 6 hits for monomerid = 50417349   
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))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
45n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


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


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
126n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


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


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
447n/an/an/an/an/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cells


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417349
PNG
(CHEMBL1276248)
Show SMILES C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C15H16N2OS/c1-11(15-16-7-8-17-15)18-14-5-3-2-4-13(14)12-6-9-19-10-12/h2-6,9-11H,7-8H2,1H3,(H,16,17)/t11-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 63n/an/an/an/a



Universita` di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as induction of extracellular acidification by microphysiometry


J Med Chem 53: 7825-35 (2010)


Article DOI: 10.1021/jm100977d
BindingDB Entry DOI: 10.7270/Q24B32JF
More data for this
Ligand-Target Pair