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2 similar compounds to monomer 50377391

Compile data set for download or QSAR
Wt: 248.7
BDBM50377408
Wt: 228.2
BDBM50377390

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50377408,50377390   
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))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 327n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 167n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377408
PNG
(CHEMBL255937)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1Cl
Show InChI InChI=1S/C13H13ClN2O/c1-17-12-9-2-3-10(13-15-6-7-16-13)8(9)4-5-11(12)14/h4-7,10H,2-3H2,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 451n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50377408
PNG
(CHEMBL255937)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1Cl
Show InChI InChI=1S/C13H13ClN2O/c1-17-12-9-2-3-10(13-15-6-7-16-13)8(9)4-5-11(12)14/h4-7,10H,2-3H2,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377408
PNG
(CHEMBL255937)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1Cl
Show InChI InChI=1S/C13H13ClN2O/c1-17-12-9-2-3-10(13-15-6-7-16-13)8(9)4-5-11(12)14/h4-7,10H,2-3H2,1H3,(H,15,16)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair