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BDBM50000870 7-(3-Benzenesulfonyl-propoxy)-1,3-dihydro-imidazo[4,5-b]quinolin-2-one::CHEMBL90677

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

InChI Key: InChIKey=CXKZVQGXPZXMLT-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50000870   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50000870
PNG
(7-(3-Benzenesulfonyl-propoxy)-1,3-dihydro-imidazo[...)
Show SMILES O=c1[nH]c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C19H17N3O4S/c23-19-21-17-12-13-11-14(7-8-16(13)20-18(17)22-19)26-9-4-10-27(24,25)15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10H2,(H2,20,21,22,23)
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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
cGMP-inhibited 3',5'-cyclic phosphodiesterase A/B


(Homo sapiens (Human))
BDBM50000870
PNG
(7-(3-Benzenesulfonyl-propoxy)-1,3-dihydro-imidazo[...)
Show SMILES O=c1[nH]c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C19H17N3O4S/c23-19-21-17-12-13-11-14(7-8-16(13)20-18(17)22-19)26-9-4-10-27(24,25)15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10H2,(H2,20,21,22,23)
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PubMed
n/an/a 2n/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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50000870
PNG
(7-(3-Benzenesulfonyl-propoxy)-1,3-dihydro-imidazo[...)
Show SMILES O=c1[nH]c2cc3cc(OCCCS(=O)(=O)c4ccccc4)ccc3nc2[nH]1
Show InChI InChI=1S/C19H17N3O4S/c23-19-21-17-12-13-11-14(7-8-16(13)20-18(17)22-19)26-9-4-10-27(24,25)15-5-2-1-3-6-15/h1-3,5-8,11-12H,4,9-10H2,(H2,20,21,22,23)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Patents


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PubMed
n/an/an/an/a 390n/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