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BDBM50344315 5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3-one::CHEMBL1779433

SMILES: O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1

InChI Key: InChIKey=VAUPDEYJCYIXFQ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344315   
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))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
PDB
MMDB

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Article
PubMed
n/an/a 1.56E+5n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
PDB

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antibodypedia
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UniChem

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Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (Human))
BDBM50344315
PNG
(5,6-Dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3...)
Show SMILES O=c1cc2CCc3nn4ccccc4c3-c2n[nH]1
Show InChI InChI=1S/C13H10N4O/c18-11-7-8-4-5-9-12(13(8)15-14-11)10-3-1-2-6-17(10)16-9/h1-3,6-7H,4-5H2,(H,14,18)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of human PDE3A catalytic domain using cAMP/cGMP substrate


Bioorg Med Chem Lett 21: 3307-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.021
BindingDB Entry DOI: 10.7270/Q2X067C3
More data for this
Ligand-Target Pair