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SMILES: C1CN(CCN1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=LZSXQBNNRGZPES-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

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 = 50304819   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304819
PNG
(4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CN(CCN1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
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Article
PubMed
755n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V]


(Homo sapiens (Human))
BDBM50304819
PNG
(4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CN(CCN1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
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US Patent
1.05E+5n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50304819
PNG
(4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CN(CCN1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
1.05E+5n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



Assay Description
The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...


J Med Chem 51: 1560-76 (2008)


BindingDB Entry DOI: 10.7270/Q2HX1FZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304819
PNG
(4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CN(CCN1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 755n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair