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Compile Data Set for Download or QSAR

Found 82 hits of ic50 data for polymerid = 50000312   
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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50454137
PNG
(CHEMBL1321988)
Show SMILES S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
Show InChI InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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n/an/a 37n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y6 receptor (unknown origin)

Bioorg Med Chem 26: 366-375 (2018)


Article DOI: 10.1016/j.bmc.2017.11.043
BindingDB Entry DOI: 10.7270/Q2NZ8B61
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50454137
PNG
(CHEMBL1321988)
Show SMILES S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
Show InChI InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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n/an/a 37n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50454137
PNG
(CHEMBL1321988)
Show SMILES S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
Show InChI InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50454137
PNG
(CHEMBL1321988)
Show SMILES S=C=Nc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(c2)N=C=S)c1
Show InChI InChI=1S/C20H20N6S4/c27-13-23-15-5-3-7-17(11-15)25-19(29)21-9-1-2-10-22-20(30)26-18-8-4-6-16(12-18)24-14-28/h3-8,11-12H,1-2,9-10H2,(H2,21,25,29)(H2,22,26,30)
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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced inositol-1-phosphate accumulation pr...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5272895
PNG
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n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569572
PNG
(CHEMBL4877204)
Show SMILES S=C=Nc1ccc(NC(=S)NCCCNC(=S)Nc2ccc(cc2)N=C=S)cc1
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n/an/a 155n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced inositol-1-phosphate accumulation pr...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5274312
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc(Cl)[nH]2)cc1OC
Show InChI InChI=1S/C22H26ClN3O4/c1-28-19-8-3-15(11-20(19)29-2)9-10-24-12-17(27)14-30-18-6-4-16(5-7-18)22-25-13-21(23)26-22/h3-8,11,13,17,24,27H,9-10,12,14H2,1-2H3,(H,25,26)
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n/an/a 461n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569551
PNG
(CHEMBL4877977)
Show SMILES [#6]-[#6][Si;v4]([#6]-[#6])([#6]-[#6])C#Cc1ccc2-[#8]-[#6](-[#6](=[#6]-c2c1)-[#7+](-[#8-])=O)C(F)(F)F |c:15|
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n/an/a 604n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569550
PNG
(CHEMBL4851349)
Show SMILES [#6][Si;v4]([#6])([#6])C#Cc1ccc2-[#8]-[#6](-[#6](=[#6]-c2c1)-[#7+](-[#8-])=O)C(F)(F)F |c:12|
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n/an/a 785n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569547
PNG
(CHEMBL4854398)
Show SMILES [O-][N+](=O)C1=Cc2cc(Br)ccc2OC1C(F)(F)F |t:3|
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569559
PNG
(CHEMBL4857492)
Show SMILES OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:18|
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n/an/a 1.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5287483
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc([nH]2)C(N)=O)cc1OC
Show InChI InChI=1S/C23H28N4O5/c1-30-20-8-3-15(11-21(20)31-2)9-10-25-12-17(28)14-32-18-6-4-16(5-7-18)23-26-13-19(27-23)22(24)29/h3-8,11,13,17,25,28H,9-10,12,14H2,1-2H3,(H2,24,29)(H,26,27)
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA

Assay Description
pA2 value against Tachykinin receptor 2 in rat vas deferens

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569557
PNG
(CHEMBL4856060)
Show SMILES CC(C)(C)OC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:17|
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n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569549
PNG
(CHEMBL4871107)
Show SMILES [O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#C |t:3|
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n/an/a 1.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5279730
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(CCc3nc(c[nH]3)-c3cccs3)cc2)cc1OC
Show InChI InChI=1S/C28H33N3O4S/c1-33-25-11-7-21(16-26(25)34-2)13-14-29-17-22(32)19-35-23-9-5-20(6-10-23)8-12-28-30-18-24(31-28)27-4-3-15-36-27/h3-7,9-11,15-16,18,22,29,32H,8,12-14,17,19H2,1-2H3,(H,30,31)
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n/an/a 1.79E+3n/an/an/an/an/an/a


TBA

Assay Description
pA2 value against Tachykinin receptor 2 in rat vas deferens

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5283362
PNG
Show SMILES COCCc1cnc([nH]1)-c1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C25H33N3O5/c1-30-13-11-20-15-27-25(28-20)19-5-7-22(8-6-19)33-17-21(29)16-26-12-10-18-4-9-23(31-2)24(14-18)32-3/h4-9,14-15,21,26,29H,10-13,16-17H2,1-3H3,(H,27,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for antagonistic activity towards Tachykinin receptor 2 in rat vas deferens

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50268874
PNG
(CHEMBL499580 | Sodium 1-Amino-4-[3-(4,6-dichloro-[...)
Show SMILES Nc1c(cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(c2)C(O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C24H14Cl2N6O7S/c25-22-30-23(26)32-24(31-22)29-11-6-9(21(35)36)5-10(7-11)28-14-8-15(40(37,38)39)18(27)17-16(14)19(33)12-3-1-2-4-13(12)20(17)34/h1-8,28H,27H2,(H,35,36)(H,37,38,39)(H,29,30,31,32)/p-1
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n/an/a 2.55E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay

J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5287190
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c(Br)[nH]2)cc1OC
Show InChI InChI=1S/C23H28BrN3O4/c1-15-22(24)27-23(26-15)17-5-7-19(8-6-17)31-14-18(28)13-25-11-10-16-4-9-20(29-2)21(12-16)30-3/h4-9,12,18,25,28H,10-11,13-14H2,1-3H3,(H,26,27)
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n/an/a 2.57E+3n/an/an/an/an/an/a


TBA

Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50237574
PNG
(CHEMBL4081274)
Show SMILES [Na+].Cc1ccc(C)c(Sc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2)c1
Show InChI InChI=1S/C28H22N2O5S2/c1-15-7-8-16(2)22(13-15)36-18-11-9-17(10-12-18)30-21-14-23(37(33,34)35)26(29)25-24(21)27(31)19-5-3-4-6-20(19)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)/p-1
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y6 receptor transfected in human 1321N1 cells assessed as inhibition of UDP-activated intracellular calcium mobilizati...

J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50227032
PNG
(CHEMBL256057 | acid blue 25 | sodium 1-amino-9,10-...)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccccc2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)/p-1
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y6 receptor transfected in human 1321N1 cells assessed as inhibition of UDP-activated intracellular calcium mobilizati...

J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569546
PNG
(CHEMBL4876210)
Show SMILES [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F |t:3|
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n/an/a 2.91E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569546
PNG
(CHEMBL4876210)
Show SMILES [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F |t:3|
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n/an/a 2.91E+3n/an/an/an/an/an/a


TBA

Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5280754
PNG
Show SMILES OC(CNCCc1ccncc1)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1
Show InChI InChI=1S/C23H24N4O2S/c28-19(14-25-12-9-17-7-10-24-11-8-17)16-29-20-5-3-18(4-6-20)23-26-15-21(27-23)22-2-1-13-30-22/h1-8,10-11,13,15,19,25,28H,9,12,14,16H2,(H,26,27)
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n/an/a 2.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569547
PNG
(CHEMBL4854398)
Show SMILES [O-][N+](=O)C1=Cc2cc(Br)ccc2OC1C(F)(F)F |t:3|
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n/an/a 3.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5277295
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(Cc3ncc(C)[nH]3)cc2)cc1OC
Show InChI InChI=1S/C24H31N3O4/c1-17-14-26-24(27-17)13-18-4-7-21(8-5-18)31-16-20(28)15-25-11-10-19-6-9-22(29-2)23(12-19)30-3/h4-9,12,14,20,25,28H,10-11,13,15-16H2,1-3H3,(H,26,27)
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n/an/a 3.69E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50336787
PNG
(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
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n/an/a 3.92E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay

J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569558
PNG
(CHEMBL4870366)
Show SMILES COC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:19|
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n/an/a 3.97E+3n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE)

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5286996
PNG
Show SMILES CCOC(=O)c1cnc([nH]1)-c1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C25H31N3O6/c1-4-33-25(30)21-15-27-24(28-21)18-6-8-20(9-7-18)34-16-19(29)14-26-12-11-17-5-10-22(31-2)23(13-17)32-3/h5-10,13,15,19,26,29H,4,11-12,14,16H2,1-3H3,(H,27,28)
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n/an/a 3.99E+3n/an/an/an/an/an/a


TBA

Assay Description
Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569548
PNG
(CHEMBL4875858)
Show SMILES [O-][N+](=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F |t:3|
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569548
PNG
(CHEMBL4875858)
Show SMILES [O-][N+](=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F |t:3|
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibition of cathepsin G serine protease to produce one-half maximal enzyme activity.

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5283029
PNG
Show SMILES CCOCCNC[C@H](O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 |r|
Show InChI InChI=1S/C20H25N3O3S/c1-2-25-10-9-21-12-16(24)14-26-17-7-5-15(6-8-17)20-22-13-18(23-20)19-4-3-11-27-19/h3-8,11,13,16,21,24H,2,9-10,12,14H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/a 4.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569546
PNG
(CHEMBL4876210)
Show SMILES [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F |t:3|
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n/an/a 4.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization p...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50029031
PNG
(1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S([O-])(=O)=O)n3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)/p-3
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n/an/a 4.34E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay

J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50237587
PNG
(CHEMBL4099292)
Show SMILES [Na+].Cc1ccc(Sc2ccc(Nc3cc(c(N)c4C(=O)c5ccccc5C(=O)c34)S([O-])(=O)=O)cc2)cc1C
Show InChI InChI=1S/C28H22N2O5S2/c1-15-7-10-19(13-16(15)2)36-18-11-8-17(9-12-18)30-22-14-23(37(33,34)35)26(29)25-24(22)27(31)20-5-3-4-6-21(20)28(25)32/h3-14,30H,29H2,1-2H3,(H,33,34,35)/p-1
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n/an/a 4.36E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y6 receptor transfected in human 1321N1 cells assessed as inhibition of UDP-activated intracellular calcium mobilizati...

J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50336800
PNG
(CHEMBL1672101 | Sodium 1-Amino-4-(3-phenoxyphenyla...)
Show SMILES Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-12-5-4-11-18(19)25(22)29)28-15-7-6-10-17(13-15)34-16-8-2-1-3-9-16/h1-14,28H,27H2,(H,31,32,33)/p-1
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n/an/a 4.56E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay

J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569565
PNG
(CHEMBL4845850)
Show SMILES [O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CCN1C(=O)c2ccccc2C1=O |t:3|
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n/an/a 4.65E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50237576
PNG
(CHEMBL4069492)
Show SMILES [Na+].Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)ccc1O
Show InChI InChI=1S/C21H16N2O6S/c1-10-8-11(6-7-15(10)24)23-14-9-16(30(27,28)29)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)/p-1
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n/an/a 4.75E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells

J Med Chem 60: 3020-3038 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00030
BindingDB Entry DOI: 10.7270/Q2G73H15
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5278019
PNG
Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1nc(c[nH]1)C(C)C
Show InChI InChI=1S/C18H27N3O2/c1-12(2)17-10-20-18(21-17)14-5-7-16(8-6-14)23-11-15(22)9-19-13(3)4/h5-8,10,12-13,15,19,22H,9,11H2,1-4H3,(H,20,21)
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n/an/a 4.77E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569553
PNG
(CHEMBL4864185)
Show SMILES [O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#CC1CC1 |t:3|
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n/an/a 4.87E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5280827
PNG
Show SMILES CCCCNC(=O)NCCNCC(O)COc1ccc(cc1)-c1nc(C)c[nH]1
Show InChI InChI=1S/C20H31N5O3/c1-3-4-9-22-20(27)23-11-10-21-13-17(26)14-28-18-7-5-16(6-8-18)19-24-12-15(2)25-19/h5-8,12,17,21,26H,3-4,9-11,13-14H2,1-2H3,(H,24,25)(H2,22,23,27)
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n/an/a 5.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569561
PNG
(CHEMBL4858554)
Show SMILES COC(=O)CCCC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:19|
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n/an/a 5.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50268725
PNG
(CHEMBL496030 | sodium 1-amino-4-(4-hydroxyphenylam...)
Show SMILES Nc1c(cc(Nc2ccc(O)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H14N2O6S/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2,(H,26,27,28)/p-1
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y6 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay

J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
BindingDB Entry DOI: 10.7270/Q2VH5PTG
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569568
PNG
(CHEMBL4854854)
Show SMILES [O-][N+](=O)C1=Cc2cc(ccc2OC1C(F)(F)F)C#N |t:3|
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n/an/a 5.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5279172
PNG
Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2nc(C)c(Cl)[nH]2)cc1OC
Show InChI InChI=1S/C23H28ClN3O4/c1-15-22(24)27-23(26-15)17-5-7-19(8-6-17)31-14-18(28)13-25-11-10-16-4-9-20(29-2)21(12-16)30-3/h4-9,12,18,25,28H,10-11,13-14H2,1-3H3,(H,26,27)
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n/an/a 5.35E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		CHEMBL5267428
PNG
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1S/C21H25N5O3/c27-18(14-22-10-11-25-21(28)26-17-4-2-1-3-5-17)15-29-19-8-6-16(7-9-19)20-23-12-13-24-20/h1-9,12-13,18,22,27H,10-11,14-15H2,(H,23,24)(H2,25,26,28)
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n/an/a 5.36E+3n/an/an/an/an/an/a


TBA

Assay Description
pA2 value against Tachykinin receptor 2 in rat vas deferens

Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569563
PNG
(CHEMBL4852231)
Show SMILES COC(=O)CC(C)(C)CC(=O)NCC#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:21|
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n/an/a 5.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569566
PNG
(CHEMBL4878016)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:23|
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n/an/a 6.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569552
PNG
(CHEMBL4872572)
Show SMILES CC(C)(C)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:12|
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n/an/a 6.59E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569567
PNG
(CHEMBL4873868)
Show SMILES COC(=O)[C@H](C)NC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |r,c:24|
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n/an/a 6.84E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50569558
PNG
(CHEMBL4870366)
Show SMILES COC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:19|
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced intracellular calcium mobilization b...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128008
BindingDB Entry DOI: 10.7270/Q2C2516Q
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Ligand-Target Pair
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