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BDBM50258563 (S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole::CHEMBL468711

SMILES: C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1

InChI Key: InChIKey=JVQZWPGHLBOWKN-CQSZACIVSA-N

Data: 1 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 4 hits for monomerid = 50258563   
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))
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
991n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of adrenergic alpha2A receptor (unknown origin)


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 119n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

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


(Homo sapiens (Human))
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 760n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1B receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair