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BDBM50195822 ({[({[(2R,3S,4R,5R)-5-(6,7-difluoro-1-oxo-1,2-dihydroisoquinolin-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid::CHEMBL391663

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)c(F)cc2c1=O

InChI Key: InChIKey=UVFKSFDIWKHRJL-HKUMRIAESA-N

Data: 4 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 = 50195822   
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 P2Y2


(Homo sapiens (Human))
BDBM50195822
PNG
(({[({[(2R,3S,4R,5R)-5-(6,7-difluoro-1-oxo-1,2-dihy...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)c(F)cc2c1=O |w:13.14,9.10|
Show InChI InChI=1S/C14H16F2NO14P3/c15-8-3-6-1-2-17(13(20)7(6)4-9(8)16)14-12(19)11(18)10(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h1-4,10-12,14,18-19H,5H2,(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11-,12-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.017
BindingDB Entry DOI: 10.7270/Q2CC11JS
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50195822
PNG
(({[({[(2R,3S,4R,5R)-5-(6,7-difluoro-1-oxo-1,2-dihy...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)c(F)cc2c1=O |w:13.14,9.10|
Show InChI InChI=1S/C14H16F2NO14P3/c15-8-3-6-1-2-17(13(20)7(6)4-9(8)16)14-12(19)11(18)10(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h1-4,10-12,14,18-19H,5H2,(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11-,12-,14-/m1/s1
Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human cloned P2Y6 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.017
BindingDB Entry DOI: 10.7270/Q2CC11JS
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50195822
PNG
(({[({[(2R,3S,4R,5R)-5-(6,7-difluoro-1-oxo-1,2-dihy...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)c(F)cc2c1=O |w:13.14,9.10|
Show InChI InChI=1S/C14H16F2NO14P3/c15-8-3-6-1-2-17(13(20)7(6)4-9(8)16)14-12(19)11(18)10(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h1-4,10-12,14,18-19H,5H2,(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11-,12-,14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human cloned P2Y1 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.017
BindingDB Entry DOI: 10.7270/Q2CC11JS
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50195822
PNG
(({[({[(2R,3S,4R,5R)-5-(6,7-difluoro-1-oxo-1,2-dihy...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)c(F)cc2c1=O |w:13.14,9.10|
Show InChI InChI=1S/C14H16F2NO14P3/c15-8-3-6-1-2-17(13(20)7(6)4-9(8)16)14-12(19)11(18)10(29-14)5-28-33(24,25)31-34(26,27)30-32(21,22)23/h1-4,10-12,14,18-19H,5H2,(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11-,12-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.00E+4n/an/an/an/a



UCB-Group

Curated by ChEMBL


Assay Description
Agonist activity at human cloned P2Y4 receptor expressed in human 1321N1 by FLIPR assay


Bioorg Med Chem Lett 17: 562-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.017
BindingDB Entry DOI: 10.7270/Q2CC11JS
More data for this
Ligand-Target Pair