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USPatent US9458171

Compile Data Set for Download or QSAR

Found 561 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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184014
PNG
(US9150566, 51)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Show InChI InChI=1S/C24H21ClN6O2/c25-19-5-6-22(31-28-9-10-29-31)21(15-19)24(32)30-11-12-33-16-20(30)14-17-3-1-4-18(13-17)23-26-7-2-8-27-23/h1-10,13,15,20H,11-12,14,16H2/t20-/m1/s1
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n/an/a 2.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184019
PNG
(US9150566, 57)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c23-20-6-5-17(29-24-7-8-25-29)13-16(20)14-18-15-32-12-11-28(18)22(31)19-3-1-2-4-21(19)30-26-9-10-27-30/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 2.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184020
PNG
(US9150566, 58)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C24H24N6O4/c1-16-3-5-21(30-26-7-8-27-30)19(11-16)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
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n/an/a 4.20E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184021
PNG
(US9150566, 59)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Show InChI InChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/s1
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n/an/a 3.20E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM60732
PNG
(US9150566, 64)
Show SMILES Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-4-2-7-21(22(17)30-26-10-11-27-30)23(31)28-12-13-32-16-20(28)15-18-5-3-6-19(14-18)29-24-8-9-25-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
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n/an/a 3.30E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184030
PNG
(US9150566, 68)
Show SMILES C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-15-32-16-20(14-18-5-4-6-19(13-18)29-24-9-10-25-29)28(17)23(31)21-7-2-3-8-22(21)30-26-11-12-27-30/h2-13,17,20H,14-16H2,1H3/t17-,20-/m1/s1
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n/an/a 2.40E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184055
PNG
(US9150566, 93)
Show SMILES COc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H23N7O3/c1-32-20-5-6-21(22(15-20)30-26-9-10-27-30)23(31)28-11-12-33-16-19(28)14-17-3-2-4-18(13-17)29-24-7-8-25-29/h2-10,13,15,19H,11-12,14,16H2,1H3/t19-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184060
PNG
(US9150566, 98)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(C)c(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-17-11-23(24(12-18(17)2)32-28-9-10-29-32)25(33)30-15-19(3)34-16-22(30)14-20-5-4-6-21(13-20)31-26-7-8-27-31/h4-13,19,22H,14-16H2,1-3H3/t19-,22-/m1/s1
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n/an/a 9.70E+3n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184063
PNG
(US9150566, 101)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 9.70E+3n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184066
PNG
(US9150566, 104)
Show SMILES COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1Cl)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O3/c1-33-22-13-19(21(14-20(22)24)31-27-7-8-28-31)23(32)29-9-10-34-15-18(29)12-16-3-2-4-17(11-16)30-25-5-6-26-30/h2-8,11,13-14,18H,9-10,12,15H2,1H3/t18-/m1/s1
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n/an/a 1.30E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184073
PNG
(US9150566, 111)
Show SMILES C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C26H26N6O2/c1-18-6-3-9-23(24(18)32-29-12-13-30-32)26(33)31-16-19(2)34-17-22(31)15-20-7-4-8-21(14-20)25-27-10-5-11-28-25/h3-14,19,22H,15-17H2,1-2H3/t19-,22-/m1/s1
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n/an/a 4.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184085
PNG
(US9150566, 123)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2C)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-3-6-22(23(13-17)31-27-9-10-28-31)24(32)29-11-12-33-16-21(29)15-19-14-20(5-4-18(19)2)30-25-7-8-26-30/h3-10,13-14,21H,11-12,15-16H2,1-2H3/t21-/m1/s1
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n/an/a 2.70E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184087
PNG
(US9150566, 125)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1Cl)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22ClN7O2/c1-16-2-5-22(31-27-8-9-28-31)20(12-16)23(32)29-10-11-33-15-19(29)14-17-13-18(3-4-21(17)24)30-25-6-7-26-30/h2-9,12-13,19H,10-11,14-15H2,1H3/t19-/m1/s1
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n/an/a 2.20E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184106
PNG
(US9150566, 144)
Show SMILES CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C25H27N7O2/c1-3-22-16-30(25(33)23-8-7-18(2)13-24(23)32-28-11-12-29-32)21(17-34-22)15-19-5-4-6-20(14-19)31-26-9-10-27-31/h4-14,21-22H,3,15-17H2,1-2H3/t21-,22-/m1/s1
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n/an/a 9.60E+3n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184108
PNG
(US9150566, 146)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(F)cc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O2/c1-16-2-3-21(22(10-16)31-27-6-7-28-31)23(32)29-8-9-33-15-20(29)13-17-11-18(24)14-19(12-17)30-25-4-5-26-30/h2-7,10-12,14,20H,8-9,13,15H2,1H3/t20-/m1/s1
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n/an/a 4.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184123
PNG
(US9150566, 161)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-c1ncccn1
Show InChI InChI=1S/C24H20ClFN6O2/c25-20-4-1-3-19(22(20)32-29-9-10-30-32)24(33)31-11-12-34-15-18(31)14-17-13-16(5-6-21(17)26)23-27-7-2-8-28-23/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 3.30E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184127
PNG
(US9150566, 165)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2cccnn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C26H25FN6O2/c1-17-5-7-22(25(12-17)33-29-10-11-30-33)26(34)32-15-18(2)35-16-21(32)14-20-13-19(6-8-23(20)27)24-4-3-9-28-31-24/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 2.00E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184137
PNG
(US9150566, 175)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H21FN6O3/c1-15-2-4-19(21(10-15)30-26-6-7-27-30)23(31)29-8-9-32-13-18(29)12-17-11-16(3-5-20(17)24)22-25-14-33-28-22/h2-7,10-11,14,18H,8-9,12-13H2,1H3/t18-/m1/s1
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n/an/a 3.50E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184149
PNG
(US9150566, 187)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C23H21ClFN7O2/c1-15-13-30(23(33)20-4-2-17(24)12-22(20)32-28-8-9-29-32)19(14-34-15)11-16-10-18(3-5-21(16)25)31-26-6-7-27-31/h2-10,12,15,19H,11,13-14H2,1H3/t15-,19-/m1/s1
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n/an/a 1.40E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM184150
PNG
(US9150566, 188)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1C)-n1cccn1)-n1nccn1
Show InChI InChI=1S/C25H26N6O2/c1-18-4-7-24(31-27-9-10-28-31)23(14-18)25(32)29-12-13-33-17-22(29)16-20-15-21(6-5-19(20)2)30-11-3-8-26-30/h3-11,14-15,22H,12-13,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 1.40E+4n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM183962
PNG
(US9150566, Ref. 2)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r|
Show InChI InChI=1S/C23H23N7O/c1-17-7-8-22(30-26-11-12-27-30)21(14-17)23(31)28-13-3-6-19(28)15-18-4-2-5-20(16-18)29-24-9-10-25-29/h2,4-5,7-12,14,16,19H,3,6,13,15H2,1H3/t19-/m0/s1
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n/an/a 3.30E+3n/an/an/an/a7.437



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
The CYP3A4 inhibition assay was performed using human liver microsomes and testosterone 6'-hydroxylation as a P450 isoform-specific marker. In a tota...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184148
PNG
(US9150566, 186)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C23H21ClFN7O2/c1-15-13-30(23(33)20-12-17(24)2-5-22(20)32-28-8-9-29-32)19(14-34-15)11-16-10-18(3-4-21(16)25)31-26-6-7-27-31/h2-10,12,15,19H,11,13-14H2,1H3/t15-,19-/m1/s1
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n/an/a 11n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183972
PNG
(US9150566, 9)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1
Show InChI InChI=1S/C24H23N5O4/c1-31-22-7-6-17(15-20(22)23-25-10-12-33-23)14-18-16-32-13-11-28(18)24(30)19-4-2-3-5-21(19)29-26-8-9-27-29/h2-10,12,15,18H,11,13-14,16H2,1H3/t18-/m1/s1
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n/an/a 2n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183977
PNG
(US9150566, 14)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
Show InChI InChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183981
PNG
(US9150566, 18)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H22N6O2/c31-24(21-7-1-2-8-22(21)30-27-11-12-28-30)29-13-14-32-17-20(29)16-18-5-3-6-19(15-18)23-25-9-4-10-26-23/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1
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n/an/a 22n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183986
PNG
(US9150566, 23)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cncn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-22(30-25-7-8-26-30)21(11-17)23(31)28-9-10-32-14-20(28)13-18-3-2-4-19(12-18)29-16-24-15-27-29/h2-8,11-12,15-16,20H,9-10,13-14H2,1H3/t20-/m1/s1
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n/an/a 34n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM183994
PNG
(US9150566, 31)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N
Show InChI InChI=1S/C23H20N8O2/c24-15-18-4-5-22(31-27-8-9-28-31)21(14-18)23(32)29-10-11-33-16-20(29)13-17-2-1-3-19(12-17)30-25-6-7-26-30/h1-9,12,14,20H,10-11,13,16H2/t20-/m1/s1
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n/an/a 33n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184008
PNG
(US9150566, 45)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1cccs1)-n1nccn1
Show InChI InChI=1S/C25H24N4O2S/c1-18-7-8-23(29-26-9-10-27-29)22(14-18)25(30)28-11-12-31-17-21(28)16-19-4-2-5-20(15-19)24-6-3-13-32-24/h2-10,13-15,21H,11-12,16-17H2,1H3/t21-/m1/s1
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n/an/a 0.100n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184012
PNG
(US9150566, 49)
Show SMILES Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncccn2)c1F)-n1nccn1
Show InChI InChI=1S/C25H23FN6O2/c1-17-6-7-21(32-29-10-11-30-32)22(23(17)26)25(33)31-12-13-34-16-20(31)15-18-4-2-5-19(14-18)24-27-8-3-9-28-24/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184014
PNG
(US9150566, 51)
Show SMILES Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Show InChI InChI=1S/C24H21ClN6O2/c25-19-5-6-22(31-28-9-10-29-31)21(15-19)24(32)30-11-12-33-16-20(30)14-17-3-1-4-18(13-17)23-26-7-2-8-27-23/h1-10,13,15,20H,11-12,14,16H2/t20-/m1/s1
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n/an/a 3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184016
PNG
(US9150566, 53)
Show SMILES Cc1ccc(c(n1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-6-7-21(30-25-9-10-26-30)22(27-17)23(31)28-12-13-32-16-20(28)15-18-4-2-5-19(14-18)29-11-3-8-24-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
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n/an/a 27n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184040
PNG
(US9150566, 78)
Show SMILES COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C23H22FN7O3/c1-33-22-13-19(21(14-20(22)24)31-27-7-8-28-31)23(32)29-9-10-34-15-18(29)12-16-3-2-4-17(11-16)30-25-5-6-26-30/h2-8,11,13-14,18H,9-10,12,15H2,1H3/t18-/m1/s1
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n/an/a 17n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184050
PNG
(US9150566, 88)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-17-4-5-20(29-25-6-7-26-29)19(12-17)22(30)28-8-9-31-13-18(28)11-15-2-1-3-16(10-15)21-24-14-32-27-21/h1-7,10,12,14,18H,8-9,11,13H2/t18-/m1/s1
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n/an/a 30n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184091
PNG
(US9150566, 129)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H19ClFN7O2/c23-16-1-4-21(31-27-7-8-28-31)19(13-16)22(32)29-9-10-33-14-18(29)12-15-11-17(2-3-20(15)24)30-25-5-6-26-30/h1-8,11,13,18H,9-10,12,14H2/t18-/m1/s1
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n/an/a 12n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184093
PNG
(US9150566, 131)
Show SMILES COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C23H22FN7O3/c1-33-19-3-5-22(31-27-8-9-28-31)20(14-19)23(32)29-10-11-34-15-18(29)13-16-12-17(2-4-21(16)24)30-25-6-7-26-30/h2-9,12,14,18H,10-11,13,15H2,1H3/t18-/m1/s1
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n/an/a 4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184102
PNG
(US9150566, 140)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-27-7-8-28-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-10-9-26-29-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/m1/s1
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n/an/a 27n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184111
PNG
(US9150566, 149)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C26H25FN6O2/c1-17-4-6-22(24(12-17)33-30-10-11-31-33)26(34)32-15-18(2)35-16-21(32)14-20-13-19(5-7-23(20)27)25-28-8-3-9-29-25/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
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n/an/a 4n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184123
PNG
(US9150566, 161)
Show SMILES Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-c1ncccn1
Show InChI InChI=1S/C24H20ClFN6O2/c25-20-4-1-3-19(22(20)32-29-9-10-30-32)24(33)31-11-12-34-15-18(31)14-17-13-16(5-6-21(17)26)23-27-7-2-8-28-23/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 16n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184125
PNG
(US9150566, 163)
Show SMILES C[C@@H]1OCCN([C@@H]1Cc1cccc(c1)-n1nccn1)C(=O)c1ccc(C)cc1-n1nccn1
Show InChI InChI=1S/C24H25N7O2/c1-17-6-7-21(23(14-17)31-27-10-11-28-31)24(32)29-12-13-33-18(2)22(29)16-19-4-3-5-20(15-19)30-25-8-9-26-30/h3-11,14-15,18,22H,12-13,16H2,1-2H3/t18-,22+/m0/s1
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n/an/a 22n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184128
PNG
(US9150566, 166)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2cccnn2)c(c1)-n1nccn1
Show InChI InChI=1S/C25H23FN6O2/c1-17-4-6-21(24(13-17)32-28-9-10-29-32)25(33)31-11-12-34-16-20(31)15-19-14-18(5-7-22(19)26)23-3-2-8-27-30-23/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1
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n/an/a 13n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184131
PNG
(US9150566, 169)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1C)-n1nccn1
Show InChI InChI=1S/C24H24ClN7O2/c1-16-3-5-21(23(17(16)2)32-28-9-10-29-32)24(33)30-11-12-34-15-20(30)14-18-13-19(4-6-22(18)25)31-26-7-8-27-31/h3-10,13,20H,11-12,14-15H2,1-2H3/t20-/m1/s1
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n/an/a 5n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184144
PNG
(US9150566, 182)
Show SMILES FC(F)(F)c1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Show InChI InChI=1S/C23H20F3N7O2/c24-23(25,26)20-6-2-5-19(21(20)33-29-9-10-30-33)22(34)31-11-12-35-15-18(31)14-16-3-1-4-17(13-16)32-27-7-8-28-32/h1-10,13,18H,11-12,14-15H2/t18-/m1/s1
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n/an/a 7n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))		BDBM184156
PNG
(US9150566, 194)
Show SMILES Clc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
Show InChI InChI=1S/C24H21ClN6O2/c25-21-7-6-17(15-20(21)23-26-8-3-9-27-23)14-18-16-33-13-12-30(18)24(32)19-4-1-2-5-22(19)31-28-10-11-29-31/h1-11,15,18H,12-14,16H2/t18-/m1/s1
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n/an/a 33n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183977
PNG
(US9150566, 14)
Show SMILES COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
Show InChI InChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
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n/an/a 905n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183980
PNG
(US9150566, 17)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Show InChI InChI=1S/C25H24N6O2/c1-18-6-7-23(31-28-10-11-29-31)22(14-18)25(32)30-12-13-33-17-21(30)16-19-4-2-5-20(15-19)24-26-8-3-9-27-24/h2-11,14-15,21H,12-13,16-17H2,1H3/t21-/m1/s1
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n/an/a 396n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183981
PNG
(US9150566, 18)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H22N6O2/c31-24(21-7-1-2-8-22(21)30-27-11-12-28-30)29-13-14-32-17-20(29)16-18-5-3-6-19(15-18)23-25-9-4-10-26-23/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1
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n/an/a 1.89E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183987
PNG
(US9150566, 24)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccccn1)-n1nccn1
Show InChI InChI=1S/C26H25N5O2/c1-19-8-9-25(31-28-11-12-29-31)23(15-19)26(32)30-13-14-33-18-22(30)17-20-5-4-6-21(16-20)24-7-2-3-10-27-24/h2-12,15-16,22H,13-14,17-18H2,1H3/t22-/m1/s1
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n/an/a 1.03E+3n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183989
PNG
(US9150566, 26)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Show InChI InChI=1S/C22H20FN7O2/c23-17-4-5-21(30-26-8-9-27-30)20(14-17)22(31)28-10-11-32-15-19(28)13-16-2-1-3-18(12-16)29-24-6-7-25-29/h1-9,12,14,19H,10-11,13,15H2/t19-/m1/s1
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n/an/a 822n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM183990
PNG
(US9150566, 27)
Show SMILES Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Show InChI InChI=1S/C23H23N7O2/c1-17-5-6-21(22(13-17)30-26-9-10-27-30)23(31)28-11-12-32-16-20(28)15-18-3-2-4-19(14-18)29-24-7-8-25-29/h2-10,13-14,20H,11-12,15-16H2,1H3/t20-/m1/s1
PDB

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n/an/a 274n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM184000
PNG
(US9150566, 37)
Show SMILES COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1C)-n1nccn1
Show InChI InChI=1S/C24H25N7O3/c1-17-12-22(31-27-8-9-28-31)21(15-23(17)33-2)24(32)29-10-11-34-16-20(29)14-18-4-3-5-19(13-18)30-25-6-7-26-30/h3-9,12-13,15,20H,10-11,14,16H2,1-2H3/t20-/m1/s1
PDB

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n/an/a 209n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...

US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%