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SMILES: O=C(CCCCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=LHTCPUPSLZUZHR-ZWTKJYBESA-N

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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 = 50000876   
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-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50000876
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES O=C(CCCCc1ccc2nc3[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/C25H30N4O2/c30-22(29-25-12-16-7-17(13-25)9-18(8-16)14-25)4-2-1-3-15-5-6-20-19(10-15)11-21-23(26-20)28-24(31)27-21/h5-6,10-11,16-18H,1-4,7-9,12-14H2,(H,29,30)(H2,26,27,28,31)/t16-,17+,18-,25?
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6n/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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50000876
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES O=C(CCCCc1ccc2nc3[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/C25H30N4O2/c30-22(29-25-12-16-7-17(13-25)9-18(8-16)14-25)4-2-1-3-15-5-6-20-19(10-15)11-21-23(26-20)28-24(31)27-21/h5-6,10-11,16-18H,1-4,7-9,12-14H2,(H,29,30)(H2,26,27,28,31)/t16-,17+,18-,25?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 960n/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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50000876
PNG
(5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-y...)
Show SMILES O=C(CCCCc1ccc2nc3[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/C25H30N4O2/c30-22(29-25-12-16-7-17(13-25)9-18(8-16)14-25)4-2-1-3-15-5-6-20-19(10-15)11-21-23(26-20)28-24(31)27-21/h5-6,10-11,16-18H,1-4,7-9,12-14H2,(H,29,30)(H2,26,27,28,31)/t16-,17+,18-,25?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 5.26E+3n/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