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BDBM50000875 1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyryl]-piperidine-4-carboxylic acid ethyl ester::CHEMBL328149

SMILES: CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1

InChI Key: InChIKey=FYTROBAKOHFNCC-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50000875   
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))
BDBM50000875
PNG
(1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c1-2-30-21(28)14-7-9-26(10-8-14)19(27)4-3-11-31-16-5-6-17-15(12-16)13-18-20(23-17)25-22(29)24-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,23,24,25,29)
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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000875
PNG
(1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c1-2-30-21(28)14-7-9-26(10-8-14)19(27)4-3-11-31-16-5-6-17-15(12-16)13-18-20(23-17)25-22(29)24-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,23,24,25,29)
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PubMed
n/an/an/an/a 90n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using adenosine diphosphate (ADP) as activating agent in human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000875
PNG
(1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c1-2-30-21(28)14-7-9-26(10-8-14)19(27)4-3-11-31-16-5-6-17-15(12-16)13-18-20(23-17)25-22(29)24-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,23,24,25,29)
PDB
MMDB

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B.MOAD
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antibodypedia
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PC sid
UniChem

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PubMed
n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (cAMP) hydrolysis


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000875
PNG
(1-[4-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C22H26N4O5/c1-2-30-21(28)14-7-9-26(10-8-14)19(27)4-3-11-31-16-5-6-17-15(12-16)13-18-20(23-17)25-22(29)24-18/h5-6,12-14H,2-4,7-11H2,1H3,(H2,23,24,25,29)
PDB

Reactome pathway
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PC sid
UniChem

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PubMed
n/an/an/an/a 210n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of platelet aggregation using Adenosine diphosphate (ADP) as activating agent in rabbit platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair