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BDBM50000871 CHEMBL69139::N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydro-imidazo[2,1-b]quinazolin-7-yloxy)-butyramide::N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydro-imidazo[2,1-b]quinazolin-7-yloxy)-butyramide(Lixazinone, RS 82856)::N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydro-imidazo[2,1-b]quinazolin-7-yloxy)-butyramide(RS-82856)

SMILES: CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1

InChI Key: InChIKey=WUECXCBONAGRSA-UHFFFAOYSA-N

Data: 5 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 7 hits for monomerid = 50000871   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/an/an/a 440n/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))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human platelet cAMP phosphodiesterase


J Med Chem 30: 303-18 (1987)


BindingDB Entry DOI: 10.7270/Q27946X0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/an/an/a 100n/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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 6n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against platelet phosphodiesterase (PDE)


J Med Chem 31: 2145-52 (1988)


BindingDB Entry DOI: 10.7270/Q2R49T05
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 3n/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
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
PDB
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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a 10n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of platelet cAMP phosphodiesterase


J Med Chem 31: 2136-45 (1988)


BindingDB Entry DOI: 10.7270/Q2VX0JQQ
More data for this
Ligand-Target Pair