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PubMed code 27994747

Compile data set for download or QSAR
Found 66 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Cav1.2 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/an/an/a 24n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201574
PNG
(CHEMBL3895853)
Show SMILES CN(C(=O)Cn1cc(nn1)-c1ccc(cc1)-n1ccnc1C)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H18Cl2N6O/c1-14-24-10-11-29(14)16-8-6-15(7-9-16)18-12-28(26-25-18)13-20(30)27(2)19-5-3-4-17(22)21(19)23/h3-12H,13H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 32n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201581
PNG
(CHEMBL3907390)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)NC2CCCc3ccccc23)nn1
Show InChI InChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32)
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Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201577
PNG
(CHEMBL3967871)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
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Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 79n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 37n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/an/an/a 27n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201573
PNG
(CHEMBL3908606)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a 198n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201573
PNG
(CHEMBL3908606)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a 40n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201581
PNG
(CHEMBL3907390)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)NC2CCCc3ccccc23)nn1
Show InChI InChI=1S/C25H26N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-14,16,21H,5,7,9,15H2,1-2H3,(H,27,32)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/an/an/a 8n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 252n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201605
PNG
(CHEMBL3912504)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(C)c2C)nn1
Show InChI InChI=1S/C23H24N6O2/c1-15-6-5-7-19(17(15)3)25-23(30)13-29-12-20(26-27-29)18-8-9-21(22(10-18)31-4)28-11-16(2)24-14-28/h5-12,14H,13H2,1-4H3,(H,25,30)
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n/an/an/an/a 115n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201609
PNG
(CHEMBL3896896)
Show SMILES Cc1nccn1Cc1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30)
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n/an/an/an/a 589n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 38n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201604
PNG
(CHEMBL3976574)
Show SMILES Clc1cccc(NC(=O)Cn2cc(nn2)-c2ccc(cc2)-n2ccnc2)c1Cl
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
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n/an/an/an/a 3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201574
PNG
(CHEMBL3895853)
Show SMILES CN(C(=O)Cn1cc(nn1)-c1ccc(cc1)-n1ccnc1C)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H18Cl2N6O/c1-14-24-10-11-29(14)16-8-6-15(7-9-16)18-12-28(26-25-18)13-20(30)27(2)19-5-3-4-17(22)21(19)23/h3-12H,13H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201577
PNG
(CHEMBL3967871)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
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n/an/an/an/a 34n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 9n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 77n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 687n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201604
PNG
(CHEMBL3976574)
Show SMILES Clc1cccc(NC(=O)Cn2cc(nn2)-c2ccc(cc2)-n2ccnc2)c1Cl
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
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n/an/an/an/a 26n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201577
PNG
(CHEMBL3967871)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
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n/an/an/an/a 14n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201579
PNG
(CHEMBL3963733)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H23N7O2/c1-17-13-31(15-26-17)23-11-10-19(12-24(23)34-2)22-14-32(30-29-22)16-27-25(33)28-21-9-5-7-18-6-3-4-8-20(18)21/h3-15H,16H2,1-2H3,(H2,27,28,33)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/an/an/a 24n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201605
PNG
(CHEMBL3912504)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(C)c2C)nn1
Show InChI InChI=1S/C23H24N6O2/c1-15-6-5-7-19(17(15)3)25-23(30)13-29-12-20(26-27-29)18-8-9-21(22(10-18)31-4)28-11-16(2)24-14-28/h5-12,14H,13H2,1-4H3,(H,25,30)
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n/an/an/an/a 80n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201572
PNG
(CHEMBL3965469)
Show SMILES Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C19H15Cl2N7O/c1-12-22-7-8-28(12)17-6-5-13(9-23-17)16-10-27(26-25-16)11-18(29)24-15-4-2-3-14(20)19(15)21/h2-10H,11H2,1H3,(H,24,29)
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n/an/an/an/a 2n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201573
PNG
(CHEMBL3908606)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a 36n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201575
PNG
(CHEMBL3903475)
Show SMILES Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)18-6-5-13(7-15(18)23)17-9-29(27-26-17)10-19(30)25-16-4-2-3-14(21)20(16)22/h2-9,11H,10H2,1H3,(H,25,30)
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n/an/an/an/a 78n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201578
PNG
(CHEMBL3940492)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(F)c2F)nn1
Show InChI InChI=1S/C21H18F2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201579
PNG
(CHEMBL3963733)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H23N7O2/c1-17-13-31(15-26-17)23-11-10-19(12-24(23)34-2)22-14-32(30-29-22)16-27-25(33)28-21-9-5-7-18-6-3-4-8-20(18)21/h3-15H,16H2,1-2H3,(H2,27,28,33)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201605
PNG
(CHEMBL3912504)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(C)c2C)nn1
Show InChI InChI=1S/C23H24N6O2/c1-15-6-5-7-19(17(15)3)25-23(30)13-29-12-20(26-27-29)18-8-9-21(22(10-18)31-4)28-11-16(2)24-14-28/h5-12,14H,13H2,1-4H3,(H,25,30)
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n/an/an/an/a 70n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/an/an/a 25n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201604
PNG
(CHEMBL3976574)
Show SMILES Clc1cccc(NC(=O)Cn2cc(nn2)-c2ccc(cc2)-n2ccnc2)c1Cl
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
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n/an/an/an/a 16n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201604
PNG
(CHEMBL3976574)
Show SMILES Clc1cccc(NC(=O)Cn2cc(nn2)-c2ccc(cc2)-n2ccnc2)c1Cl
Show InChI InChI=1S/C19H14Cl2N6O/c20-15-2-1-3-16(19(15)21)23-18(28)11-27-10-17(24-25-27)13-4-6-14(7-5-13)26-9-8-22-12-26/h1-10,12H,11H2,(H,23,28)
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n/an/an/an/a 18n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 23n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/an/an/a 12n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201608
PNG
(CHEMBL3930417)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNC(=O)c2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(15-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)16-27-25(32)21-9-5-7-18-6-3-4-8-20(18)21/h3-15H,16H2,1-2H3,(H,27,32)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201577
PNG
(CHEMBL3967871)
Show SMILES Cc1cn(cn1)-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-9-27(12-23-13)15-7-5-14(6-8-15)18-10-28(26-25-18)11-19(29)24-17-4-2-3-16(21)20(17)22/h2-10,12H,11H2,1H3,(H,24,29)
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n/an/an/an/a 19n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201573
PNG
(CHEMBL3908606)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a 77n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201580
PNG
(CHEMBL3923863)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(nn1)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31)
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Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201606
PNG
(CHEMBL3896713)
Show SMILES Cc1cn(cn1)-c1ccc(-c2cn(CC(=O)Nc3cccc(Cl)c3Cl)nn2)c(F)c1
Show InChI InChI=1S/C20H15Cl2FN6O/c1-12-8-28(11-24-12)13-5-6-14(16(23)7-13)18-9-29(27-26-18)10-19(30)25-17-4-2-3-15(21)20(17)22/h2-9,11H,10H2,1H3,(H,25,30)
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Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201576
PNG
(CHEMBL3957911)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNc2cccc3ccccc23)nn1
Show InChI InChI=1S/C24H22N6O/c1-17-13-29(15-25-17)23-11-10-19(12-24(23)31-2)22-14-30(28-27-22)16-26-21-9-5-7-18-6-3-4-8-20(18)21/h3-15,26H,16H2,1-2H3
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Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50381477
PNG
(CHEMBL2017410)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(16-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)15-25(32)27-21-9-5-7-18-6-3-4-8-20(18)21/h3-14,16H,15H2,1-2H3,(H,27,32)
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n/an/an/an/a 115n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201607
PNG
(CHEMBL3905835)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C20H16Cl2N6O/c1-13-23-9-10-28(13)15-7-5-14(6-8-15)18-11-27(26-25-18)12-19(29)24-17-4-2-3-16(21)20(17)22/h2-11H,12H2,1H3,(H,24,29)
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n/an/an/an/a 3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201609
PNG
(CHEMBL3896896)
Show SMILES Cc1nccn1Cc1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Show InChI InChI=1S/C21H18Cl2N6O/c1-14-24-9-10-28(14)11-15-5-7-16(8-6-15)19-12-29(27-26-19)13-20(30)25-18-4-2-3-17(22)21(18)23/h2-10,12H,11,13H2,1H3,(H,25,30)
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n/an/an/an/a 716n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured after 30 to 60 mins by IP-One assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201576
PNG
(CHEMBL3957911)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNc2cccc3ccccc23)nn1
Show InChI InChI=1S/C24H22N6O/c1-17-13-29(15-25-17)23-11-10-19(12-24(23)31-2)22-14-30(28-27-22)16-26-21-9-5-7-18-6-3-4-8-20(18)21/h3-15,26H,16H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201578
PNG
(CHEMBL3940492)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CC(=O)Nc2cccc(F)c2F)nn1
Show InChI InChI=1S/C21H18F2N6O2/c1-13-9-28(12-24-13)18-7-6-14(8-19(18)31-2)17-10-29(27-26-17)11-20(30)25-16-5-3-4-15(22)21(16)23/h3-10,12H,11H2,1-2H3,(H,25,30)
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n/an/an/an/a 634n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Mus musculus)
BDBM50201580
PNG
(CHEMBL3923863)
Show SMILES Cc1nccn1-c1ccc(cc1)-c1cn(nn1)C(C)(C)C(=O)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H20Cl2N6O/c1-14-25-11-12-29(14)16-9-7-15(8-10-16)19-13-30(28-27-19)22(2,3)21(31)26-18-6-4-5-17(23)20(18)24/h4-13H,1-3H3,(H,26,31)
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n/an/an/an/a 801n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142


(Homo sapiens (Human))
BDBM50201608
PNG
(CHEMBL3930417)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1cn(CNC(=O)c2cccc3ccccc23)nn1
Show InChI InChI=1S/C25H22N6O2/c1-17-13-30(15-26-17)23-11-10-19(12-24(23)33-2)22-14-31(29-28-22)16-27-25(32)21-9-5-7-18-6-3-4-8-20(18)21/h3-15H,16H2,1-2H3,(H,27,32)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 to 5 mins by Fluo-4AM dye-based FLIPR assay


ACS Med Chem Lett 7: 1107-1111 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00314
BindingDB Entry DOI: 10.7270/Q2ZC84V0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%