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BDBM50222055 CHEMBL327906

SMILES: Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1

InChI Key: InChIKey=JHSZVHJFNKXUNT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50222055   
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1 |t:4|
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-2 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


BindingDB Entry DOI: 10.7270/Q2GQ7108
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1 |t:4|
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
26n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-CT binding to 5-hydroxytryptamine 7 receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


BindingDB Entry DOI: 10.7270/Q2GQ7108
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50222055
PNG
(CHEMBL327906)
Show SMILES Cc1c(NC2=NCCN2)cccc1-c1cccc(Cl)c1 |t:4|
Show InChI InChI=1S/C16H16ClN3/c1-11-14(12-4-2-5-13(17)10-12)6-3-7-15(11)20-16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H2,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
132n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for Alpha-1 adrenergic receptor of rat cortical membranes


Bioorg Med Chem Lett 13: 269-71 (2003)


BindingDB Entry DOI: 10.7270/Q2GQ7108
More data for this
Ligand-Target Pair