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BDBM50377387 CHEMBL260720

SMILES: Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1

InChI Key: InChIKey=MACSPWGTMJSVNZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50377387   
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))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
UniProtKB/SwissProt

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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-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 902n/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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 634n/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)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/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)

More data for this
Ligand-Target Pair