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BDBM50002905 CHEMBL373535

SMILES: CC(Oc1ccccc1-c1cccnc1)C1=NCCN1

InChI Key: InChIKey=AFWQDDUMQAQVSC-UHFFFAOYSA-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 = 50002905   
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-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
65n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic Alpha-2C receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
138n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
933n/an/an/an/an/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX 821002 from human adrenergic alpha-2B receptor expressed in CHO cells


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 316n/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonistic potency at human adrenergic alpha-2A receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonistic potency at human adrenergic alpha2C receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50002905
PNG
(CHEMBL373535)
Show SMILES CC(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12(16-18-9-10-19-16)20-15-7-3-2-6-14(15)13-5-4-8-17-11-13/h2-8,11-12H,9-10H2,1H3,(H,18,19)
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



Università degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonistic potency at human adrenergic alpha-2B receptor expressed in CHO cells assessed as forskolin-induced cAMP accumulation


J Med Chem 50: 3964-8 (2007)

Checked by Author
Article DOI: 10.1021/jm061487a
BindingDB Entry DOI: 10.7270/Q2W095NP
More data for this
Ligand-Target Pair