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BDBM15304 (5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one::dihydropyridazinone 14a

SMILES: COc1ccccc1CC1=C(CCCC1=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C

InChI Key: InChIKey=COEVDPWUZRPZIC-MRXNPFEDSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15304   
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 Type 3 (PDE3A)


(Homo sapiens (Human))
BDBM15304
PNG
((5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclo...)
Show SMILES COc1ccccc1CC1=C(CCCC1=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C |r,t:10,26|
Show InChI InChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
PDB

KEGG

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(Homo sapiens (Human))
BDBM15304
PNG
((5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclo...)
Show SMILES COc1ccccc1CC1=C(CCCC1=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C |r,t:10,26|
Show InChI InChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.130n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair