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PubMed code 25613676

Compile data set for download or QSAR
Found 34 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
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120893
PNG
(CHEMBL3622328)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21ClF3N7O/c1-13-3-4-17(32-27-6-7-28-32)15(11-13)19(33)31-10-9-30(8-5-14(31)2)20-26-12-16(18(22)29-20)21(23,24)25/h3-4,6-7,11-12,14H,5,8-10H2,1-2H3/t14-/m1/s1
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PubMed
 0.700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120882
PNG
(CHEMBL3622331)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H24F3N7O2/c1-14-4-5-18(32-27-7-8-28-32)16(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-17(22(23,24)25)19(29-21)34-3/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120881
PNG
(CHEMBL3622330)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F3N7O/c1-14-4-5-19(32-27-7-8-28-32)17(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-18(16(3)29-21)22(23,24)25/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
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 1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120891
PNG
(CHEMBL3622326)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(C)c(Cl)n1 |r|
Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-18(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-16(28)3)21-23-13-15(2)19(22)26-21/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3/t16-/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120894
PNG
(CHEMBL3622329)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(19-25-12-15(17(21)28-19)20(22,23)24)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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 5.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120890
PNG
(CHEMBL3622325)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(Cl)c(C)n1 |r|
Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-19(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-15(28)2)21-23-13-18(22)16(3)26-21/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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 6.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120884
PNG
(CHEMBL3622333)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22F3N7O2/c1-14-7-10-29(20-25-13-16(21(22,23)24)18(28-20)33-2)11-12-30(14)19(32)15-5-3-4-6-17(15)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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 6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120883
PNG
(CHEMBL3622332)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O/c1-14-7-10-29(20-25-13-17(15(2)28-20)21(22,23)24)11-12-30(14)19(32)16-5-3-4-6-18(16)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120892
PNG
(CHEMBL3622327)
Show SMILES COc1nc(ncc1C)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-5-6-19(29-24-8-9-25-29)18(13-15)21(30)28-12-11-27(10-7-17(28)3)22-23-14-16(2)20(26-22)31-4/h5-6,8-9,13-14,17H,7,10-12H2,1-4H3/t17-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120886
PNG
(CHEMBL3622336)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C |r|
Show InChI InChI=1S/C20H22ClN7O/c1-14-13-22-20(21)25-18(14)26-10-7-15(2)27(12-11-26)19(29)16-5-3-4-6-17(16)28-23-8-9-24-28/h3-6,8-9,13,15H,7,10-12H2,1-2H3/t15-/m1/s1
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 760n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120888
PNG
(CHEMBL3622323)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1Cl |r|
Show InChI InChI=1S/C19H19Cl2N7O/c1-13-6-9-26(17-15(20)12-22-19(21)25-17)10-11-27(13)18(29)14-4-2-3-5-16(14)28-23-7-8-24-28/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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 850n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120885
PNG
(CHEMBL3622334)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(17-15(20(22,23)24)12-25-19(21)28-17)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120889
PNG
(CHEMBL3622324)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl |r|
Show InChI InChI=1S/C20H22ClN7O/c1-14-7-10-26(19-17(21)13-22-15(2)25-19)11-12-27(14)20(29)16-5-3-4-6-18(16)28-23-8-9-24-28/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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 1.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120887
PNG
(CHEMBL3622322)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C |r|
Show InChI InChI=1S/C21H25N7O/c1-15-14-22-17(3)25-20(15)26-11-8-16(2)27(13-12-26)21(29)18-6-4-5-7-19(18)28-23-9-10-24-28/h4-7,9-10,14,16H,8,11-13H2,1-3H3/t16-/m1/s1
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 3.60E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120873
PNG
(CHEMBL3622335)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O/c1-14-7-10-29(19-17(21(22,23)24)13-25-15(2)28-19)11-12-30(14)20(32)16-5-3-4-6-18(16)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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 4.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human orexin 2 receptor expressed in CHO cells after 3 hrs by radioligand binding assay

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318701
PNG
(CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-be...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r|
Show InChI InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/t16-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120890
PNG
(CHEMBL3622325)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(Cl)c(C)n1 |r|
Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-19(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-15(28)2)21-23-13-18(22)16(3)26-21/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120883
PNG
(CHEMBL3622332)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O/c1-14-7-10-29(20-25-13-17(15(2)28-20)21(22,23)24)11-12-30(14)19(32)16-5-3-4-6-18(16)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50318697
PNG
(6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-...)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r|
Show InChI InChI=1S/C23H22FN7O/c1-16-8-11-29(23-25-15-17-14-18(24)6-7-20(17)28-23)12-13-30(16)22(32)19-4-2-3-5-21(19)31-26-9-10-27-31/h2-7,9-10,14-16H,8,11-13H2,1H3/t16-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120891
PNG
(CHEMBL3622326)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(C)c(Cl)n1 |r|
Show InChI InChI=1S/C21H24ClN7O/c1-14-4-5-18(29-24-7-8-25-29)17(12-14)20(30)28-11-10-27(9-6-16(28)3)21-23-13-15(2)19(22)26-21/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3/t16-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120892
PNG
(CHEMBL3622327)
Show SMILES COc1nc(ncc1C)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-5-6-19(29-24-8-9-25-29)18(13-15)21(30)28-12-11-27(10-7-17(28)3)22-23-14-16(2)20(26-22)31-4/h5-6,8-9,13-14,17H,7,10-12H2,1-4H3/t17-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120882
PNG
(CHEMBL3622331)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H24F3N7O2/c1-14-4-5-18(32-27-7-8-28-32)16(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-17(22(23,24)25)19(29-21)34-3/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120884
PNG
(CHEMBL3622333)
Show SMILES COc1nc(ncc1C(F)(F)F)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C21H22F3N7O2/c1-14-7-10-29(20-25-13-16(21(22,23)24)18(28-20)33-2)11-12-30(14)19(32)15-5-3-4-6-17(15)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120881
PNG
(CHEMBL3622330)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(C)n1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F3N7O/c1-14-4-5-19(32-27-7-8-28-32)17(12-14)20(33)31-11-10-30(9-6-15(31)2)21-26-13-18(16(3)29-21)22(23,24)25/h4-5,7-8,12-13,15H,6,9-11H2,1-3H3/t15-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120894
PNG
(CHEMBL3622329)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(19-25-12-15(17(21)28-19)20(22,23)24)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120893
PNG
(CHEMBL3622328)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1ncc(c(Cl)n1)C(F)(F)F |r|
Show InChI InChI=1S/C21H21ClF3N7O/c1-13-3-4-17(32-27-6-7-28-32)15(11-13)19(33)31-10-9-30(8-5-14(31)2)20-26-12-16(18(22)29-20)21(23,24)25/h3-4,6-7,11-12,14H,5,8-10H2,1-2H3/t14-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120895
PNG
(CHEMBL3622337)
Show SMILES COc1ncc(c(n1)N1CC[C@@H](C)N(CC1)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O2/c1-14-7-10-29(18-16(21(22,23)24)13-25-20(28-18)33-2)11-12-30(14)19(32)15-5-3-4-6-17(15)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a 245n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120886
PNG
(CHEMBL3622336)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C |r|
Show InChI InChI=1S/C20H22ClN7O/c1-14-13-22-20(21)25-18(14)26-10-7-15(2)27(12-11-26)19(29)16-5-3-4-6-17(16)28-23-8-9-24-28/h3-6,8-9,13,15H,7,10-12H2,1-2H3/t15-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120888
PNG
(CHEMBL3622323)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1Cl |r|
Show InChI InChI=1S/C19H19Cl2N7O/c1-13-6-9-26(17-15(20)12-22-19(21)25-17)10-11-27(13)18(29)14-4-2-3-5-16(14)28-23-7-8-24-28/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120885
PNG
(CHEMBL3622334)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(17-15(20(22,23)24)12-25-19(21)28-17)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120873
PNG
(CHEMBL3622335)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N7O/c1-14-7-10-29(19-17(21(22,23)24)13-25-15(2)28-19)11-12-30(14)20(32)16-5-3-4-6-18(16)31-26-8-9-27-31/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120889
PNG
(CHEMBL3622324)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl |r|
Show InChI InChI=1S/C20H22ClN7O/c1-14-7-10-26(19-17(21)13-22-15(2)25-19)11-12-27(14)20(29)16-5-3-4-6-18(16)28-23-8-9-24-28/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM50120887
PNG
(CHEMBL3622322)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C |r|
Show InChI InChI=1S/C21H25N7O/c1-15-14-22-17(3)25-20(15)26-11-8-16(2)27(13-12-26)21(29)18-6-4-5-7-19(18)28-23-9-10-24-28/h4-7,9-10,14,16H,8,11-13H2,1-3H3/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced intracellular calcium level after 60...

Bioorg Med Chem Lett 25: 4992-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.081
BindingDB Entry DOI: 10.7270/Q2N58P5S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%