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BDBM50000931 CHEMBL91368::N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyramide(HCl)

SMILES: CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1

InChI Key: InChIKey=RBJPQMVNZAIYKC-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 = 50000931   
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))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2n/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 human platelet rich plasma (PRP)


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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Article
PubMed
n/an/an/an/a 7n/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)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
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Article
PubMed
n/an/an/an/a 5n/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)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50000931
PNG
(CHEMBL91368 | N-Cyclohexyl-N-methyl-4-(2-oxo-2,3-d...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1
Show InChI InChI=1S/C21H26N4O3/c1-25(15-6-3-2-4-7-15)19(26)8-5-11-28-16-9-10-17-14(12-16)13-18-20(22-17)24-21(27)23-18/h9-10,12-13,15H,2-8,11H2,1H3,(H2,22,23,24,27)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem

Patents


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Article
PubMed
n/an/a 6.00E+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 Guanosine monophosphate (cGMP) hydrolysis


J Med Chem 35: 2672-87 (1992)


Article DOI: 10.1021/jm00092a019
BindingDB Entry DOI: 10.7270/Q2513X52
More data for this
Ligand-Target Pair