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BDBM50000891 5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-pentanoic acid cycloheptyl-methyl-amide::CHEMBL88764

SMILES: CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1

InChI Key: InChIKey=NAPKHDRXTZVUOK-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 = 50000891   
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 3


(Homo sapiens (Human))
BDBM50000891
PNG
(5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]qui...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1
Show InChI InChI=1S/C24H32N4O3/c1-27(18-9-5-3-4-6-10-18)22(29)11-7-8-14-31-19-12-13-20-17(15-19)16-21-23(25-20)26-24(30)28(21)2/h12-13,15-16,18H,3-11,14H2,1-2H3,(H,25,26,30)
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PC sid
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PubMed
n/an/a 600n/an/an/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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000891
PNG
(5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]qui...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1
Show InChI InChI=1S/C24H32N4O3/c1-27(18-9-5-3-4-6-10-18)22(29)11-7-8-14-31-19-12-13-20-17(15-19)16-21-23(25-20)26-24(30)28(21)2/h12-13,15-16,18H,3-11,14H2,1-2H3,(H,25,26,30)
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PubMed
n/an/an/an/a 140n/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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50000891
PNG
(5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]qui...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1
Show InChI InChI=1S/C24H32N4O3/c1-27(18-9-5-3-4-6-10-18)22(29)11-7-8-14-31-19-12-13-20-17(15-19)16-21-23(25-20)26-24(30)28(21)2/h12-13,15-16,18H,3-11,14H2,1-2H3,(H,25,26,30)
PDB

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antibodypedia
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PubMed
n/an/a 1.00E+4n/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))
BDBM50000891
PNG
(5-(1-Methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]qui...)
Show SMILES CN(C1CCCCCC1)C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1
Show InChI InChI=1S/C24H32N4O3/c1-27(18-9-5-3-4-6-10-18)22(29)11-7-8-14-31-19-12-13-20-17(15-19)16-21-23(25-20)26-24(30)28(21)2/h12-13,15-16,18H,3-11,14H2,1-2H3,(H,25,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 540n/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