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BDBM50000909 7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4,5-b]quinolin-2-one::CHEMBL88245

SMILES: O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1

InChI Key: InChIKey=PSFRCKHLCWZSJR-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 = 50000909   
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))
BDBM50000909
PNG
(7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C20H19N3O4S/c24-20-22-18-13-14-12-15(8-9-17(14)21-19(18)23-20)27-10-4-5-11-28(25,26)16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,22,23,24)
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PC cid
PC sid
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Article
PubMed
n/an/a 1n/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)


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


(Homo sapiens (Human))
BDBM50000909
PNG
(7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C20H19N3O4S/c24-20-22-18-13-14-12-15(8-9-17(14)21-19(18)23-20)27-10-4-5-11-28(25,26)16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,22,23,24)
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Article
PubMed
n/an/an/an/a 180n/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)


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


(Homo sapiens (Human))
BDBM50000909
PNG
(7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C20H19N3O4S/c24-20-22-18-13-14-12-15(8-9-17(14)21-19(18)23-20)27-10-4-5-11-28(25,26)16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,22,23,24)
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Article
PubMed
n/an/an/an/a 10n/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))
BDBM50000909
PNG
(7-(4-Benzenesulfonyl-butoxy)-1,3-dihydro-imidazo[4...)
Show SMILES O=c1[nH]c2cc3cc(OCCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C20H19N3O4S/c24-20-22-18-13-14-12-15(8-9-17(14)21-19(18)23-20)27-10-4-5-11-28(25,26)16-6-2-1-3-7-16/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,22,23,24)
PDB
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PC sid
UniChem

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Article
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)


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