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BDBM50397841 CHEMBL2179102

SMILES: C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1

InChI Key: InChIKey=YZDGDEYKWUSLMC-AUUYWEPGSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50397841   
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
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50397841
PNG
(CHEMBL2179102)
Show SMILES C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-16-4-3-15(2)23-9-16)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h3-4,9-10,14,17,19H,5-8,11-13H2,1-2H3,(H,25,26,29)/t14-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE9A expressed in Sf9 cells using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397841
PNG
(CHEMBL2179102)
Show SMILES C[C@@H]1CN(Cc2ccc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-16-4-3-15(2)23-9-16)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-5-7-30-8-6-17/h3-4,9-10,14,17,19H,5-8,11-13H2,1-2H3,(H,25,26,29)/t14-,19-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 979n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)

More data for this
Ligand-Target Pair