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BDBM50316993 2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087710

SMILES: Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1

InChI Key: InChIKey=IAGDICXFKFJSFF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50316993   
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
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50316993
PNG
(2-amino-4-(4-fluorophenyl)-9-(pyrrolidin-1-ylmethy...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCCC3)C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19FN4O/c23-15-8-6-13(7-9-15)19-18-20(26-22(24)25-19)17-14(12-27-10-1-2-11-27)4-3-5-16(17)21(18)28/h3-9H,1-2,10-12H2,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair