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BDBM50316875 2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087184

SMILES: Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1

InChI Key: InChIKey=HIPQFJMNAUZMJG-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 = 50316875   
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 A1


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50316875
PNG
(2-amino-4-phenyl-8-(piperazine-1-carbonyl)-5H-inde...)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
32.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair