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BDBM50165819 7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naphthalen-6-one::CHEMBL382494

SMILES: Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1

InChI Key: InChIKey=GKMOVBXNXJHZPK-UHFFFAOYSA-N

Data: 1 KI  3 IC50

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 = 50165819   
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))
BDBM50165819
PNG
(7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
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PubMed
3.25E+3n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A1 receptor


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165819
PNG
(7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Inhibition of human platelets PDE5


Bioorg Med Chem 18: 7890-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.043
BindingDB Entry DOI: 10.7270/Q2V12510
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165819
PNG
(7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 5 (n=2-3)


Bioorg Med Chem Lett 15: 2381-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.090
BindingDB Entry DOI: 10.7270/Q2K64HK9
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50165819
PNG
(7-Benzyl-4,9-dimethyl-2-phenyl-7H-3,3a,5,7,8-penta...)
Show SMILES Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C23H19N5O/c1-15-21-20-13-19(18-11-7-4-8-12-18)26-28(20)16(2)24-22(21)23(29)27(25-15)14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3
PDB
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n/an/a 160n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE5


J Med Chem 49: 5363-71 (2006)


Article DOI: 10.1021/jm060265+
BindingDB Entry DOI: 10.7270/Q2GB23PC
More data for this
Ligand-Target Pair