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BDBM50259060 CHEMBL466475::N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-ylmethyl)-cyclohex-1-yl]-2-pyrrolidin-1-yl-acetamide

SMILES: CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O

InChI Key: InChIKey=SEYCIBHCEGUQNB-LSDHHAIUSA-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 = 50259060   
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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50259060
PNG
(CHEMBL466475 | N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O |r|
Show InChI InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM50259060
PNG
(CHEMBL466475 | N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O |r|
Show InChI InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1c


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50259060
PNG
(CHEMBL466475 | N-[(1R,2S)2-(3-Isopropyl-7-oxo-6,7-...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1)[nH]c2=O |r|
Show InChI InChI=1S/C21H32N6O2/c1-13(2)18-19-20(26-25-18)21(29)24-16(23-19)11-14-7-3-4-8-15(14)22-17(28)12-27-9-5-6-10-27/h13-15H,3-12H2,1-2H3,(H,22,28)(H,25,26)(H,23,24,29)/t14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b


Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair