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BDBM50016839 5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-yl)-phenyl]-4,5-dihydro-2H-pyridazin-3-one::CHEMBL282765

SMILES: CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12

InChI Key: InChIKey=KDEKNYKHIZTSLE-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50016839   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
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PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against cGMP PDE II enzyme in guinea pig


J Med Chem 30: 1955-62 (1987)


BindingDB Entry DOI: 10.7270/Q27S7MS4
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against cAMP PDE I enzyme in guinea pig


J Med Chem 30: 1955-62 (1987)


BindingDB Entry DOI: 10.7270/Q27S7MS4
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against cGMP PDE I enzyme in guinea pig


J Med Chem 30: 1955-62 (1987)


BindingDB Entry DOI: 10.7270/Q27S7MS4
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
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Article
PubMed
n/an/a 501n/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Inhibition of dual cGMP-inhibited phosphodiesterase 3 (PDE3) was determined in homogenates from human platelets.


J Med Chem 46: 2008-16 (2003)


Article DOI: 10.1021/jm030776l
BindingDB Entry DOI: 10.7270/Q2S1857B
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
PDB
MMDB

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UniChem

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PubMed
n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against cAMP PDE III enzyme in guinea pig


J Med Chem 30: 1955-62 (1987)


BindingDB Entry DOI: 10.7270/Q27S7MS4
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

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

Patents


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PubMed
n/an/a 110n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 to 1E-3 M


J Med Chem 32: 342-50 (1989)


BindingDB Entry DOI: 10.7270/Q27083P1
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50016839
PNG
(5-Methyl-6-[4-(4,5,6,7-tetrahydro-benzoimidazol-1-...)
Show SMILES CC1CC(=O)NN=C1c1ccc(cc1)-n1cnc2CCCCc12 |c:6|
Show InChI InChI=1S/C18H20N4O/c1-12-10-17(23)20-21-18(12)13-6-8-14(9-7-13)22-11-19-15-4-2-3-5-16(15)22/h6-9,11-12H,2-5,10H2,1H3,(H,20,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against cAMP PDE II enzyme in guinea pig


J Med Chem 30: 1955-62 (1987)


BindingDB Entry DOI: 10.7270/Q27S7MS4
More data for this
Ligand-Target Pair