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Patent code US9266876

Compile Data Set for Download or QSAR

Found 244 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
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208708
PNG
(US9266876, 175)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)cn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H19ClF3N7OS/c1-12-9-30(6-7-32(12)16(33)11-31-10-13(22)8-26-31)19-17(29-20(34-19)21(23,24)25)18-27-14-4-2-3-5-15(14)28-18/h2-5,8,10,12H,6-7,9,11H2,1H3,(H,27,28)/t12-/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208709
PNG
(US9266876, 176)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nccc1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N7OS/c1-13-7-8-26-32(13)12-17(33)31-10-9-30(11-14(31)2)20-18(29-21(34-20)22(23,24)25)19-27-15-5-3-4-6-16(15)28-19/h3-8,14H,9-12H2,1-2H3,(H,27,28)/t14-/m1/s1
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US Patent
n/an/a 0.100n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208772
PNG
(US9266876, 239)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2cc(CCN)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N9OS/c1-13-11-34(8-9-35(13)19(37)12-36-15(3)29-14(2)33-36)22-20(32-23(38-22)24(25,26)27)21-30-17-5-4-16(6-7-28)10-18(17)31-21/h4-5,10,13H,6-9,11-12,28H2,1-3H3,(H,30,31)/t13-/m1/s1
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n/an/a 0.100n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208674
PNG
(US9266876, 141)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc2ccncc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N7OS/c1-16-13-30(24-22(26-15-33-24)23-27-18-4-2-3-5-19(18)28-23)10-11-31(16)21(32)14-29-9-7-17-6-8-25-12-20(17)29/h2-9,12,15-16H,10-11,13-14H2,1H3,(H,27,28)/t16-/m1/s1
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n/an/a 0.200n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208707
PNG
(US9266876, 174)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N7OS/c1-13-7-8-31(29-13)12-17(33)32-10-9-30(11-14(32)2)20-18(28-21(34-20)22(23,24)25)19-26-15-5-3-4-6-16(15)27-19/h3-8,14H,9-12H2,1-2H3,(H,26,27)/t14-/m1/s1
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n/an/a 0.200n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208556
PNG
(US9266876, 23)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C24H22ClN7OS/c1-15-12-31(9-10-32(15)20(33)13-30-8-6-16-3-2-7-26-23(16)30)24-21(27-14-34-24)22-28-18-5-4-17(25)11-19(18)29-22/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,28,29)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208720
PNG
(US9266876, 187)
Show SMILES C[C@@H]1CN(CCN1C(=O)CN1C(=O)C(F)(F)c2ccccc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H22F2N6O2S/c1-15-12-31(23-21(28-14-36-23)22-29-17-7-3-4-8-18(17)30-22)10-11-32(15)20(34)13-33-19-9-5-2-6-16(19)25(26,27)24(33)35/h2-9,14-15H,10-13H2,1H3,(H,29,30)/t15-/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208702
PNG
(US9266876, 169)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cccnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H20F3N9OS/c1-13-10-33(8-9-35(13)16(36)11-34-12-29-15-5-3-7-28-20(15)34)21-17(31-22(37-21)23(24,25)26)19-30-14-4-2-6-27-18(14)32-19/h2-7,12-13H,8-11H2,1H3,(H,27,30,32)/t13-/m1/s1
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US Patent
n/an/a 0.300n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208624
PNG
(US9266876, 91)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(F)c(F)cc2[nH]1
Show InChI InChI=1S/C23H20F2N8OS/c1-13-9-31(5-6-33(13)19(34)10-32-11-27-16-3-2-4-26-22(16)32)23-20(28-12-35-23)21-29-17-7-14(24)15(25)8-18(17)30-21/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,29,30)/t13-/m1/s1
PDB

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n/an/a 0.400n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208732
PNG
(US9266876, 199)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1ccc(C)nc1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N6OS/c1-14-7-8-16(12-28-14)11-19(34)33-10-9-32(13-15(33)2)22-20(31-23(35-22)24(25,26)27)21-29-17-5-3-4-6-18(17)30-21/h3-8,12,15H,9-11,13H2,1-2H3,(H,29,30)/t15-/m1/s1
PDB

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n/an/a 0.400n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208627
PNG
(US9266876, 94)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2c(C)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H23ClN8OS/c1-14-10-31(8-9-33(14)19(34)11-32-12-27-18-4-3-7-26-23(18)32)24-21(28-13-35-24)22-29-17-6-5-16(25)15(2)20(17)30-22/h3-7,12-14H,8-11H2,1-2H3,(H,29,30)/t14-/m1/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208706
PNG
(US9266876, 173)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7OS/c1-13-11-29(9-10-31(13)16(32)12-30-8-4-7-25-30)19-17(28-20(33-19)21(22,23)24)18-26-14-5-2-3-6-15(14)27-18/h2-8,13H,9-12H2,1H3,(H,26,27)/t13-/m1/s1
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n/an/a 0.5n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208629
PNG
(US9266876, 96)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C23H21FN8OS/c1-14-10-30(7-8-32(14)19(33)11-31-12-26-17-3-2-6-25-22(17)31)23-20(27-13-34-23)21-28-16-5-4-15(24)9-18(16)29-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,28,29)/t14-/m1/s1
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n/an/a 0.5n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208618
PNG
(US9266876, 85)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C24H24N8OS/c1-15-5-6-17-19(10-15)29-22(28-17)21-24(34-14-27-21)30-8-9-32(16(2)11-30)20(33)12-31-13-26-18-4-3-7-25-23(18)31/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208735
PNG
(US9266876, 202)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc2cccnc2n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)13-34-12-15-5-4-8-28-20(15)32-34)22-19(31-23(37-22)24(25,26)27)21-29-16-6-2-3-7-17(16)30-21/h2-8,12,14H,9-11,13H2,1H3,(H,29,30)/t14-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208704
PNG
(US9266876, 171)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cncnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N10OS/c1-12-8-33(5-6-35(12)15(36)9-34-11-29-13-3-2-4-27-19(13)34)20-16(31-21(37-20)22(23,24)25)18-30-14-7-26-10-28-17(14)32-18/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,26,28,30,32)/t12-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208695
PNG
(US9266876, 162)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccc(cc2[nH]1)C1CC1
Show InChI InChI=1S/C26H26N8OS/c1-16-12-32(9-10-34(16)22(35)13-33-14-28-20-3-2-8-27-25(20)33)26-23(29-15-36-26)24-30-19-7-6-18(17-4-5-17)11-21(19)31-24/h2-3,6-8,11,14-17H,4-5,9-10,12-13H2,1H3,(H,30,31)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208726
PNG
(US9266876, 193)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(n1)C(F)(F)F)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H19F6N7OS/c1-12-10-33(8-9-35(12)16(36)11-34-7-6-15(32-34)21(23,24)25)19-17(31-20(37-19)22(26,27)28)18-29-13-4-2-3-5-14(13)30-18/h2-7,12H,8-11H2,1H3,(H,29,30)/t12-/m1/s1
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208740
PNG
(US9266876, 207)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(Br)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H18BrF3N8OS/c1-11-8-30(6-7-32(11)14(33)9-31-10-25-19(21)29-31)17-15(28-18(34-17)20(22,23)24)16-26-12-4-2-3-5-13(12)27-16/h2-5,10-11H,6-9H2,1H3,(H,26,27)/t11-/m1/s1
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208557
PNG
(US9266876, 24)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccc(cc2[nH]1)C(C)(C)C
Show InChI InChI=1S/C28H31N7OS/c1-18-15-34(12-13-35(18)23(36)16-33-11-9-19-6-5-10-29-26(19)33)27-24(30-17-37-27)25-31-21-8-7-20(28(2,3)4)14-22(21)32-25/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H,31,32)/t18-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208633
PNG
(US9266876, 100)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccc(cc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H26N8OS/c1-19-15-35(12-13-37(19)25(38)16-36-17-31-23-8-5-11-30-28(23)36)29-26(32-18-39-29)27-33-22-10-9-21(14-24(22)34-27)20-6-3-2-4-7-20/h2-11,14,17-19H,12-13,15-16H2,1H3,(H,33,34)/t19-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208648
PNG
(US9266876, 115)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ncc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H22N8OS/c1-15-12-29(23-20(25-14-33-23)21-27-17-6-2-3-7-18(17)28-21)9-10-30(15)19(32)13-31-22-16(11-26-31)5-4-8-24-22/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,27,28)/t15-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208680
PNG
(US9266876, 147)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(Cl)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N8OS/c1-13-10-34(7-8-36(13)18(37)11-35-12-30-16-3-2-6-29-21(16)35)22-19(33-23(38-22)24(26,27)28)20-31-15-5-4-14(25)9-17(15)32-20/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,31,32)/t13-/m1/s1
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208725
PNG
(US9266876, 192)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N7OS/c1-13-10-14(2)33(30-13)12-18(34)32-9-8-31(11-15(32)3)21-19(29-22(35-21)23(24,25)26)20-27-16-6-4-5-7-17(16)28-20/h4-7,10,15H,8-9,11-12H2,1-3H3,(H,27,28)/t15-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208746
PNG
(US9266876, 213)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N8OS/c1-12-9-30(7-8-32(12)16(33)10-31-11-25-13(2)29-31)19-17(28-20(34-19)21(22,23)24)18-26-14-5-3-4-6-15(14)27-18/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)/t12-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208724
PNG
(US9266876, 191)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(C)cn1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H22F3N7OS/c1-13-9-26-31(10-13)12-17(33)32-8-7-30(11-14(32)2)20-18(29-21(34-20)22(23,24)25)19-27-15-5-3-4-6-16(15)28-19/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,27,28)/t14-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208743
PNG
(US9266876, 210)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2CCN(C)Cc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N8OS/c1-15-11-34(9-10-36(15)20(37)13-35-14-29-18-7-8-33(2)12-19(18)35)23-21(32-24(38-23)25(26,27)28)22-30-16-5-3-4-6-17(16)31-22/h3-6,14-15H,7-13H2,1-2H3,(H,30,31)/t15-/m1/s1
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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208617
PNG
(US9266876, 84)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1c2ccccc2oc1=O)c1scnc1-c1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H21ClN6O3S/c1-14-11-29(23-21(26-13-35-23)22-27-16-7-6-15(25)10-17(16)28-22)8-9-30(14)20(32)12-31-18-4-2-3-5-19(18)34-24(31)33/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,27,28)/t14-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208619
PNG
(US9266876, 86)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(ccc2[nH]1)C(C)(C)C
Show InChI InChI=1S/C27H30N8OS/c1-17-13-33(10-11-35(17)22(36)14-34-15-29-20-6-5-9-28-25(20)34)26-23(30-16-37-26)24-31-19-8-7-18(27(2,3)4)12-21(19)32-24/h5-9,12,15-17H,10-11,13-14H2,1-4H3,(H,31,32)/t17-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208622
PNG
(US9266876, 89)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)c(F)cc2[nH]1
Show InChI InChI=1S/C23H20ClFN8OS/c1-13-9-31(5-6-33(13)19(34)10-32-11-27-16-3-2-4-26-22(16)32)23-20(28-12-35-23)21-29-17-7-14(24)15(25)8-18(17)30-21/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,29,30)/t13-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208636
PNG
(US9266876, 103)
Show SMILES C[C@@H]1CN(CCN1C(=O)CN1C(=O)Cc2ccccc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N6O2S/c1-15-13-33(10-11-34(15)21(37)14-35-19-9-5-2-6-16(19)12-20(35)36)24-22(32-25(38-24)26(27,28)29)23-30-17-7-3-4-8-18(17)31-23/h2-9,15H,10-14H2,1H3,(H,30,31)/t15-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208759
PNG
(US9266876, 226)
Show SMILES FC(F)(F)c1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN(CC1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C23H19F3N8OS/c24-23(25,26)22-31-18(19-29-14-4-1-2-5-15(14)30-19)21(36-22)33-10-8-32(9-11-33)17(35)12-34-13-28-16-6-3-7-27-20(16)34/h1-7,13H,8-12H2,(H,29,30)
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208771
PNG
(US9266876, 238)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)C1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N8O2S/c1-15-13-36(8-9-37(15)22(39)14-38-17(3)31-16(2)35-38)25-23(34-26(41-25)27(28,29)30)24-32-20-5-4-19(12-21(20)33-24)18-6-10-40-11-7-18/h4-5,12,15,18H,6-11,13-14H2,1-3H3,(H,32,33)/t15-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208551
PNG
(US9266876, 18)
Show SMILES CC[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H25N7OS/c1-2-18-14-31(25-22(27-16-34-25)23-28-19-7-3-4-8-20(19)29-23)12-13-32(18)21(33)15-30-11-9-17-6-5-10-26-24(17)30/h3-11,16,18H,2,12-15H2,1H3,(H,28,29)/t18-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208584
PNG
(US9266876, 51)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8OS/c1-14-11-33(9-10-35(14)18(36)12-34-13-29-17-7-4-8-28-21(17)34)22-19(32-23(37-22)24(25,26)27)20-30-15-5-2-3-6-16(15)31-20/h2-8,13-14H,9-12H2,1H3,(H,30,31)/t14-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208616
PNG
(US9266876, 83)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C23H21ClN8OS/c1-14-10-30(7-8-32(14)19(33)11-31-12-26-17-3-2-6-25-22(17)31)23-20(27-13-34-23)21-28-16-5-4-15(24)9-18(16)29-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,28,29)/t14-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208626
PNG
(US9266876, 93)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)c(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H20ClF3N8OS/c1-13-9-34(5-6-36(13)19(37)10-35-11-30-16-3-2-4-29-22(16)35)23-20(31-12-38-23)21-32-17-7-14(24(26,27)28)15(25)8-18(17)33-21/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,32,33)/t13-/m1/s1
PDB

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Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208605
PNG
(US9266876, 72)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H23ClN8OS/c1-14-9-31(24-21(28-13-35-24)22-29-17-6-5-16(25)8-19(17)30-22)10-15(2)33(14)20(34)11-32-12-27-18-4-3-7-26-23(18)32/h3-8,12-15H,9-11H2,1-2H3,(H,29,30)/t14-,15+
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208679
PNG
(US9266876, 146)
Show SMILES CCc1nc(-c2nc3ccccc3[nH]2)c(s1)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C25H26N8OS/c1-3-20-30-22(23-28-17-7-4-5-8-18(17)29-23)25(35-20)31-11-12-33(16(2)13-31)21(34)14-32-15-27-19-9-6-10-26-24(19)32/h4-10,15-16H,3,11-14H2,1-2H3,(H,28,29)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208723
PNG
(US9266876, 190)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cc1cccc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C27H23F3N6OS/c1-16-15-35(12-13-36(16)21(37)14-18-7-4-6-17-8-5-11-31-22(17)18)25-23(34-26(38-25)27(28,29)30)24-32-19-9-2-3-10-20(19)33-24/h2-11,16H,12-15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208744
PNG
(US9266876, 211)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(CN(C)C)c(C)n1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N8OS/c1-15-11-34(9-10-36(15)20(37)14-35-13-17(12-33(3)4)16(2)32-35)23-21(31-24(38-23)25(26,27)28)22-29-18-7-5-6-8-19(18)30-22/h5-8,13,15H,9-12,14H2,1-4H3,(H,29,30)/t15-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208764
PNG
(US9266876, 231)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2c(F)c(F)ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H21F5N8OS/c1-10-8-33(6-7-34(10)15(36)9-35-12(3)28-11(2)32-35)20-18(31-21(37-20)22(25,26)27)19-29-14-5-4-13(23)16(24)17(14)30-19/h4-5,10H,6-9H2,1-3H3,(H,29,30)/t10-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208676
PNG
(US9266876, 143)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cc(Cl)c2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H22ClN7OS/c1-15-11-30(24-21(27-14-34-24)22-28-18-6-2-3-7-19(18)29-22)9-10-32(15)20(33)13-31-12-17(25)16-5-4-8-26-23(16)31/h2-8,12,14-15H,9-11,13H2,1H3,(H,28,29)/t15-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208625
PNG
(US9266876, 92)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8OS/c1-14-10-33(7-8-35(14)19(36)11-34-12-29-17-3-2-6-28-22(17)34)23-20(30-13-37-23)21-31-16-5-4-15(24(25,26)27)9-18(16)32-21/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,31,32)/t14-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208637
PNG
(US9266876, 104)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1c2ncccc2[nH]c1=O)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N8O2S/c1-13-11-33(9-10-34(13)17(36)12-35-20-16(31-23(35)37)7-4-8-28-20)21-18(32-22(38-21)24(25,26)27)19-29-14-5-2-3-6-15(14)30-19/h2-8,13H,9-12H2,1H3,(H,29,30)(H,31,37)/t13-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208698
PNG
(US9266876, 165)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1sc(nc1-c1nc2cc(ccc2[nH]1)C(C)=O)C(F)(F)F
Show InChI InChI=1S/C26H23F3N8O2S/c1-14-11-35(8-9-37(14)20(39)12-36-13-31-18-4-3-7-30-23(18)36)24-21(34-25(40-24)26(27,28)29)22-32-17-6-5-16(15(2)38)10-19(17)33-22/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,32,33)/t14-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208700
PNG
(US9266876, 167)
Show SMILES COC(=O)c1ccc2[nH]c(nc2c1)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12)C(F)(F)F
Show InChI InChI=1S/C26H23F3N8O3S/c1-14-11-35(8-9-37(14)19(38)12-36-13-31-17-4-3-7-30-22(17)36)23-20(34-25(41-23)26(27,28)29)21-32-16-6-5-15(24(39)40-2)10-18(16)33-21/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,32,33)/t14-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208762
PNG
(US9266876, 229)
Show SMILES CN(C)C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H27N9OS/c1-31(2)12-17-13-32(25-22(28-16-36-25)23-29-18-6-3-4-7-19(18)30-23)10-11-34(17)21(35)14-33-15-27-20-8-5-9-26-24(20)33/h3-9,15-17H,10-14H2,1-2H3,(H,29,30)/t17-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208555
PNG
(US9266876, 22)
Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2c(C)cccc2[nH]1
Show InChI InChI=1S/C25H25N7OS/c1-16-5-3-7-19-21(16)29-23(28-19)22-25(34-15-27-22)31-11-12-32(17(2)13-31)20(33)14-30-10-8-18-6-4-9-26-24(18)30/h3-10,15,17H,11-14H2,1-2H3,(H,28,29)/t17-/m1/s1
PDB

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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3/Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))		BDBM208632
PNG
(US9266876, 99)
Show SMILES CCc1ccc2nc([nH]c2c1)-c1ncsc1N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12
Show InChI InChI=1S/C25H26N8OS/c1-3-17-6-7-18-20(11-17)30-23(29-18)22-25(35-15-28-22)31-9-10-33(16(2)12-31)21(34)13-32-14-27-19-5-4-8-26-24(19)32/h4-8,11,14-16H,3,9-10,12-13H2,1-2H3,(H,29,30)/t16-/m1/s1
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n/an/a 1n/an/an/an/a7.437



Actelion Pharmaceuticals Ltd.

US Patent


Assay Description
The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...

US Patent US9266876 (2016)


BindingDB Entry DOI: 10.7270/Q2DB80NB
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%