BindingDB logo
myBDB logout

BDBM15324 3-[(2-{[4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)-3-methylphenyl]amino}-6-oxocyclohex-1-en-1-yl)methyl]benzonitrile::Aryldimethylpyrazolone 18c

SMILES: Cc1cc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C

InChI Key: InChIKey=HFPJOEDYSNNHMV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 15324   
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))
BDBM15324
PNG
(3-[(2-{[4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyraz...)
Show SMILES Cc1cc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C26H26N4O2/c1-16-12-19(10-11-20(16)24-26(2,3)25(32)30-29-24)28-22-8-5-9-23(31)21(22)14-17-6-4-7-18(13-17)15-27/h4,6-7,10-13,28H,5,8-9,14H2,1-3H3,(H,30,32)
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/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))
BDBM15324
PNG
(3-[(2-{[4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyraz...)
Show SMILES Cc1cc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C26H26N4O2/c1-16-12-19(10-11-20(16)24-26(2,3)25(32)30-29-24)28-22-8-5-9-23(31)21(22)14-17-6-4-7-18(13-17)15-27/h4,6-7,10-13,28H,5,8-9,14H2,1-3H3,(H,30,32)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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