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BDBM50193586 7-benzyl-4-isopropyl-9-methyl-2-phenyl-7H-3,3a,5,7,8-pentaaza-cyclopenta[a]naphthalen-6-one::CHEMBL213060

SMILES: CC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1

InChI Key: InChIKey=ILKQRTXPJWHTCQ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50193586   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50193586
PNG
(7-benzyl-4-isopropyl-9-methyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES CC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-16(2)24-26-23-22(21-14-20(28-30(21)24)19-12-8-5-9-13-19)17(3)27-29(25(23)31)15-18-10-6-4-7-11-18/h4-14,16H,15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/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
Phosphodiesterase 6


(Homo sapiens (Human))
BDBM50193586
PNG
(7-benzyl-4-isopropyl-9-methyl-2-phenyl-7H-3,3a,5,7...)
Show SMILES CC(C)c1nc2c(c(C)nn(Cc3ccccc3)c2=O)c2cc(nn12)-c1ccccc1
Show InChI InChI=1S/C25H23N5O/c1-16(2)24-26-23-22(21-14-20(28-30(21)24)19-12-8-5-9-13-19)17(3)27-29(25(23)31)15-18-10-6-4-7-11-18/h4-14,16H,15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Inhibition of PDE6


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