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PubMed code 21507640

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 14


(Mus musculus)		BDBM50343886
PNG
((R)-4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7...)
Show SMILES O[C@H](c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H16F6O3/c27-25(28,29)20-8-5-14(6-9-20)17-7-10-21-18(11-17)12-19(24(34)35)13-22(21)15-1-3-16(4-2-15)23(33)26(30,31)32/h1-13,23,33H,(H,34,35)/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343888
PNG
((R)-4-(4-(2,2-difluoro-1-hydroxyethyl)phenyl)-7-(4...)
Show SMILES O[C@@H](C(F)F)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C26H17F5O3/c27-24(28)23(32)16-3-1-15(2-4-16)22-13-19(25(33)34)12-18-11-17(7-10-21(18)22)14-5-8-20(9-6-14)26(29,30)31/h1-13,23-24,32H,(H,33,34)/t23-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343885
PNG
(4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7-(4-...)
Show SMILES OC(c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C26H16F6O3/c27-25(28,29)20-8-5-14(6-9-20)17-7-10-21-18(11-17)12-19(24(34)35)13-22(21)15-1-3-16(4-2-15)23(33)26(30,31)32/h1-13,23,33H,(H,34,35)
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343877
PNG
(7-(4-fluoro-2,6-dimethylbenzyloxy)-4-(thiophen-3-y...)
Show SMILES Cc1cc(F)cc(C)c1COc1ccc2c(cc(cc2c1)C(O)=O)-c1ccsc1
Show InChI InChI=1S/C24H19FO3S/c1-14-7-19(25)8-15(2)23(14)12-28-20-3-4-21-17(10-20)9-18(24(26)27)11-22(21)16-5-6-29-13-16/h3-11,13H,12H2,1-2H3,(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343884
PNG
(4-(4-(methylsulfonyl)phenyl)-7-(4-(trifluoromethyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H17F3O4S/c1-33(31,32)21-9-4-16(5-10-21)23-14-19(24(29)30)13-18-12-17(6-11-22(18)23)15-2-7-20(8-3-15)25(26,27)28/h2-14H,1H3,(H,29,30)
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n/an/a 20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343876
PNG
(7-(2,6-dimethylbenzyloxy)-4-(thiophen-3-yl)-2-naph...)
Show SMILES Cc1cccc(C)c1COc1ccc2c(cc(cc2c1)C(O)=O)-c1ccsc1
Show InChI InChI=1S/C24H20O3S/c1-15-4-3-5-16(2)23(15)13-27-20-6-7-21-18(11-20)10-19(24(25)26)12-22(21)17-8-9-28-14-17/h3-12,14H,13H2,1-2H3,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343887
PNG
((S)-4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7...)
Show SMILES O[C@@H](c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C26H16F6O3/c27-25(28,29)20-8-5-14(6-9-20)17-7-10-21-18(11-17)12-19(24(34)35)13-22(21)15-1-3-16(4-2-15)23(33)26(30,31)32/h1-13,23,33H,(H,34,35)/t23-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343878
PNG
(4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)phenyl)-2...)
Show SMILES OC(=O)c1cc(-c2ccsc2)c2ccc(cc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H13F3O3S/c23-22(24,25)28-18-4-1-13(2-5-18)14-3-6-19-16(9-14)10-17(21(26)27)11-20(19)15-7-8-29-12-15/h1-12H,(H,26,27)
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n/an/a 54n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343872
PNG
(7-(2,6-dimethylbenzyloxy)-4-phenyl-2-naphthoic aci...)
Show SMILES Cc1cccc(C)c1COc1ccc2c(cc(cc2c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)16-29-22-11-12-23-20(14-22)13-21(26(27)28)15-24(23)19-9-4-3-5-10-19/h3-15H,16H2,1-2H3,(H,27,28)
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n/an/a 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343875
PNG
(4-(benzyloxy)-7-(2,6-dimethylbenzyloxy)-2-naphthoi...)
Show SMILES Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(cc2c1)C(O)=O
Show InChI InChI=1S/C27H24O4/c1-18-7-6-8-19(2)25(18)17-30-23-11-12-24-21(14-23)13-22(27(28)29)15-26(24)31-16-20-9-4-3-5-10-20/h3-15H,16-17H2,1-2H3,(H,28,29)
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n/an/a 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343871
PNG
(7-(2,6-dichlorobenzyloxy)-4-phenyl-2-naphthoic aci...)
Show SMILES OC(=O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)cccc3Cl)cc2c1
Show InChI InChI=1S/C24H16Cl2O3/c25-22-7-4-8-23(26)21(22)14-29-18-9-10-19-16(12-18)11-17(24(27)28)13-20(19)15-5-2-1-3-6-15/h1-13H,14H2,(H,27,28)
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n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343883
PNG
(4-(4-(methylsulfonyl)thiophen-3-yl)-7-(4-(trifluor...)
Show SMILES CS(=O)(=O)c1cscc1-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H15F3O4S2/c1-32(29,30)21-12-31-11-20(21)19-10-16(22(27)28)9-15-8-14(4-7-18(15)19)13-2-5-17(6-3-13)23(24,25)26/h2-12H,1H3,(H,27,28)
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n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343882
PNG
(4-(4-(methylsulfonyl)thiophen-3-yl)-7-(4-(trifluor...)
Show SMILES CS(=O)(=O)c1cscc1-c1cc(cc2cc(ccc12)-c1ccc(OC(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C23H15F3O5S2/c1-33(29,30)21-12-32-11-20(21)19-10-16(22(27)28)9-15-8-14(4-7-18(15)19)13-2-5-17(6-3-13)31-23(24,25)26/h2-12H,1H3,(H,27,28)
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n/an/a 330n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343881
PNG
(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...)
Show SMILES OC(=O)c1cc(-c2cscc2C(O)(C(F)(F)F)C(F)(F)F)c2ccc(cc2c1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H13F9O4S/c26-23(27,28)22(37,24(29,30)31)20-11-39-10-19(20)18-9-15(21(35)36)8-14-7-13(3-6-17(14)18)12-1-4-16(5-2-12)38-25(32,33)34/h1-11,37H,(H,35,36)
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n/an/a 350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343879
PNG
(3-fluoro-4-(thiophen-3-yl)-7-(4-(trifluoromethoxy)...)
Show SMILES OC(=O)c1cc2cc(ccc2c(-c2ccsc2)c1F)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H12F4O3S/c23-20-18(21(27)28)10-15-9-13(3-6-17(15)19(20)14-7-8-30-11-14)12-1-4-16(5-2-12)29-22(24,25)26/h1-11H,(H,27,28)
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n/an/a 380n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343880
PNG
(3-hydroxy-4-(thiophen-3-yl)-7-(4-(trifluoromethoxy...)
Show SMILES OC(=O)c1cc2cc(ccc2c(-c2ccsc2)c1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H13F3O4S/c23-22(24,25)29-16-4-1-12(2-5-16)13-3-6-17-15(9-13)10-18(21(27)28)20(26)19(17)14-7-8-30-11-14/h1-11,26H,(H,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343873
PNG
(7-((2,6-dimethylphenoxy)methyl)-4-phenyl-2-naphtho...)
Show SMILES Cc1cccc(C)c1OCc1ccc2c(cc(cc2c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)29-16-19-11-12-23-21(13-19)14-22(26(27)28)15-24(23)20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343868
PNG
(7-(benzyloxy)-4-phenyl-2-naphthoic acid | CHEMBL17...)
Show SMILES OC(=O)c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2c1
Show InChI InChI=1S/C24H18O3/c25-24(26)20-13-19-14-21(27-16-17-7-3-1-4-8-17)11-12-22(19)23(15-20)18-9-5-2-6-10-18/h1-15H,16H2,(H,25,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343869
PNG
(7-phenoxy-4-phenyl-2-naphthoic acid | CHEMBL177488...)
Show SMILES OC(=O)c1cc(-c2ccccc2)c2ccc(Oc3ccccc3)cc2c1
Show InChI InChI=1S/C23H16O3/c24-23(25)18-13-17-14-20(26-19-9-5-2-6-10-19)11-12-21(17)22(15-18)16-7-3-1-4-8-16/h1-15H,(H,24,25)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343870
PNG
(7-(4-carboxybenzyloxy)-4-phenyl-2-naphthoic acid |...)
Show SMILES OC(=O)c1ccc(COc2ccc3c(cc(cc3c2)C(O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C25H18O5/c26-24(27)18-8-6-16(7-9-18)15-30-21-10-11-22-19(13-21)12-20(25(28)29)14-23(22)17-4-2-1-3-5-17/h1-14H,15H2,(H,26,27)(H,28,29)
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n/an/a>1.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
P2Y purinoceptor 14


(Mus musculus)		BDBM50343874
PNG
(7-(2,6-dimethylbenzyloxy)-2-naphthoic acid | CHEMB...)
Show SMILES Cc1cccc(C)c1COc1ccc2ccc(cc2c1)C(O)=O
Show InChI InChI=1S/C20H18O3/c1-13-4-3-5-14(2)19(13)12-23-18-9-8-15-6-7-16(20(21)22)10-17(15)11-18/h3-11H,12H2,1-2H3,(H,21,22)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y14 receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay

Bioorg Med Chem Lett 21: 2836-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.081
BindingDB Entry DOI: 10.7270/Q2NP24S4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%