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BDBM50000933 CHEMBL92264::N-Adamantan-1-yl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide

SMILES: O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=NBZFTGRXERNYTE-LGCQQFNGSA-N

Data: 2 IC50  2 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50000933   
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))
BDBM50000933
PNG
(CHEMBL92264 | N-Adamantan-1-yl-4-(2-oxo-2,3-dihydr...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C24H28N4O3/c29-21(28-24-11-14-6-15(12-24)8-16(7-14)13-24)2-1-5-31-18-3-4-19-17(9-18)10-20-22(25-19)27-23(30)26-20/h3-4,9-10,14-16H,1-2,5-8,11-13H2,(H,28,29)(H2,25,26,27,30)/t14-,15+,16-,24?
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n/an/an/an/a 20n/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))
BDBM50000933
PNG
(CHEMBL92264 | N-Adamantan-1-yl-4-(2-oxo-2,3-dihydr...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C24H28N4O3/c29-21(28-24-11-14-6-15(12-24)8-16(7-14)13-24)2-1-5-31-18-3-4-19-17(9-18)10-20-22(25-19)27-23(30)26-20/h3-4,9-10,14-16H,1-2,5-8,11-13H2,(H,28,29)(H2,25,26,27,30)/t14-,15+,16-,24?
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PC sid
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n/an/a 1n/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))
BDBM50000933
PNG
(CHEMBL92264 | N-Adamantan-1-yl-4-(2-oxo-2,3-dihydr...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C24H28N4O3/c29-21(28-24-11-14-6-15(12-24)8-16(7-14)13-24)2-1-5-31-18-3-4-19-17(9-18)10-20-22(25-19)27-23(30)26-20/h3-4,9-10,14-16H,1-2,5-8,11-13H2,(H,28,29)(H2,25,26,27,30)/t14-,15+,16-,24?
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PC sid
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n/an/an/an/a 120n/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))
BDBM50000933
PNG
(CHEMBL92264 | N-Adamantan-1-yl-4-(2-oxo-2,3-dihydr...)
Show SMILES O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:28:23:30:27.29.26,28:27:30:23.22.24|
Show InChI InChI=1S/C24H28N4O3/c29-21(28-24-11-14-6-15(12-24)8-16(7-14)13-24)2-1-5-31-18-3-4-19-17(9-18)10-20-22(25-19)27-23(30)26-20/h3-4,9-10,14-16H,1-2,5-8,11-13H2,(H,28,29)(H2,25,26,27,30)/t14-,15+,16-,24?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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