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Patent code US10047080

Compile Data Set for Download or QSAR
Found 42 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
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228190
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7OS/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-18(34)21-17(6-19(36-21)24(25,26)27)16-8-29-23(30-9-16)15-4-5-15/h6,8-9,12-15,18,28H,4-5,7,10-11H2,1-3H3
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n/an/a 0.700n/an/an/an/an/an/a



IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228186
PNG
(2-[3-(1-Hydroxy-ethyl)-[1,2,4]triazol-1-yl]-1-{(R)...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(CCO)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6N7O2S/c1-11-5-28-8-14(34(11)17(36)9-33-10-31-16(32-33)2-3-35)18-13(4-15(37-18)20(22,23)24)12-6-29-19(30-7-12)21(25,26)27/h4,6-7,10-11,14,28,35H,2-3,5,8-9H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228176
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H30F3N7O2S/c1-6-36-22-29-9-15(10-30-22)16-7-18(24(25,26)27)37-20(16)17-11-28-8-14(2)34(17)19(35)12-33-13-31-21(32-33)23(3,4)5/h7,9-10,13-14,17,28H,6,8,11-12H2,1-5H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228188
PNG
(1-{(R)-4-[4-(2-Cyclobutoxy-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CCO2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7O2S/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-17(34)21-16(6-19(37-21)24(25,26)27)15-8-29-23(30-9-15)18-4-5-36-18/h6,8-9,12-14,17-18,28H,4-5,7,10-11H2,1-3H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228180
PNG
(2-(3-Isopropyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methy...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C22H23F6N7OS/c1-11(2)19-32-10-34(33-19)9-17(36)35-12(3)5-29-8-15(35)18-14(4-16(37-18)21(23,24)25)13-6-30-20(31-7-13)22(26,27)28/h4,6-7,10-12,15,29H,5,8-9H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228175
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(CC)n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O2S/c1-4-18-29-12-31(30-18)11-19(33)32-13(3)7-26-10-16(32)20-15(6-17(35-20)22(23,24)25)14-8-27-21(28-9-14)34-5-2/h6,8-9,12-13,16,26H,4-5,7,10-11H2,1-3H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228195
PNG
(2-(3-Methyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methyl-4...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(C)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N7OS/c1-10-4-27-7-14(33(10)16(34)8-32-9-30-11(2)31-32)17-13(3-15(35-17)19(21,22)23)12-5-28-18(29-6-12)20(24,25)26/h3,5-6,9-10,14,27H,4,7-8H2,1-2H3
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US Patent
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228181
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-2-meth...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H25F6N7OS/c1-12-6-30-9-15(36(12)17(37)10-35-11-33-19(34-35)21(2,3)4)18-14(5-16(38-18)22(24,25)26)13-7-31-20(32-8-13)23(27,28)29/h5,7-8,11-12,15,30H,6,9-10H2,1-4H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228194
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7O2S/c1-4-33-20-26-7-14(8-27-20)15-5-17(21(22,23)24)34-19(15)16-9-25-6-12(2)31(16)18(32)10-30-11-28-13(3)29-30/h5,7-8,11-12,16,25H,4,6,9-10H2,1-3H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228179
PNG
(2-(3-Ethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methyl-4-...)
Show SMILES CCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C21H21F6N7OS/c1-3-16-31-10-33(32-16)9-17(35)34-11(2)5-28-8-14(34)18-13(4-15(36-18)20(22,23)24)12-6-29-19(30-7-12)21(25,26)27/h4,6-7,10-11,14,28H,3,5,8-9H2,1-2H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228174
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C23H28F3N7O2S/c1-5-35-22-28-8-15(9-29-22)16-6-18(23(24,25)26)36-20(16)17-10-27-7-14(4)33(17)19(34)11-32-12-30-21(31-32)13(2)3/h6,8-9,12-14,17,27H,5,7,10-11H2,1-4H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228189
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C23H26F3N7OS/c1-3-19-30-12-32(31-19)11-20(34)33-13(2)7-27-10-17(33)21-16(6-18(35-21)23(24,25)26)15-8-28-22(29-9-15)14-4-5-14/h6,8-9,12-14,17,27H,3-5,7,10-11H2,1-2H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228182
PNG
(2-(3-Methoxymethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-m...)
Show SMILES COCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C21H21F6N7O2S/c1-11-4-28-7-14(34(11)17(35)8-33-10-31-16(32-33)9-36-2)18-13(3-15(37-18)20(22,23)24)12-5-29-19(30-6-12)21(25,26)27/h3,5-6,10-11,14,28H,4,7-9H2,1-2H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228192
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES COCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C23H26F3N7O2S/c1-13-6-27-9-17(33(13)20(34)10-32-12-30-19(31-32)11-35-2)21-16(5-18(36-21)23(24,25)26)15-7-28-22(29-8-15)14-3-4-14/h5,7-8,12-14,17,27H,3-4,6,9-11H2,1-2H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228187
PNG
(2-[3-(1-Hydroxy-1-methyl-ethyl)-[1,2,4]triazol-1-y...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)O)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N7O2S/c1-11-5-29-8-14(35(11)16(36)9-34-10-32-18(33-34)20(2,3)37)17-13(4-15(38-17)21(23,24)25)12-6-30-19(31-7-12)22(26,27)28/h4,6-7,10-11,14,29,37H,5,8-9H2,1-3H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228185
PNG
(1-{(R)-2-Methyl-4-[2-trifluoromethyl-4-(2-trifluor...)
Show SMILES CCCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C22H23F6N7OS/c1-3-4-17-32-11-34(33-17)10-18(36)35-12(2)6-29-9-15(35)19-14(5-16(37-19)21(23,24)25)13-7-30-20(31-8-13)22(26,27)28/h5,7-8,11-12,15,29H,3-4,6,9-10H2,1-2H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228191
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7OS/c1-14-8-29-11-18(35(14)20(36)12-34-13-32-23(33-34)24(2,3)4)21-17(7-19(37-21)25(26,27)28)16-9-30-22(31-10-16)15-5-6-15/h7,9-10,13-15,18,29H,5-6,8,11-12H2,1-4H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228184
PNG
(2-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-m...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(CO)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N7O2S/c1-10-3-27-6-13(33(10)16(35)7-32-9-30-15(8-34)31-32)17-12(2-14(36-17)19(21,22)23)11-4-28-18(29-5-11)20(24,25)26/h2,4-5,9-10,13,27,34H,3,6-8H2,1H3
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n/an/a 5.20n/an/an/an/an/an/a



IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228198
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(C)n1)c1sc(cc1-c1cnc(nc1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N7OS/c1-12-6-26-9-17(32(12)19(33)10-31-11-29-13(2)30-31)20-16(5-18(34-20)22(23,24)25)15-7-27-21(28-8-15)14-3-4-14/h5,7-8,11-12,14,17,26H,3-4,6,9-10H2,1-2H3
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US Patent
n/an/a 5.20n/an/an/an/an/an/a



IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228178
PNG
(1-(2-{(R)-2-Methyl-4-[2-trifluoromethyl-4-(2-trifl...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(N)=O)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H18F6N8O2S/c1-9-3-28-6-12(34(9)14(35)7-33-8-31-17(32-33)16(27)36)15-11(2-13(37-15)19(21,22)23)10-4-29-18(30-5-10)20(24,25)26/h2,4-5,8-9,12,28H,3,6-7H2,1H3,(H2,27,36)
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IDORSIA 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...


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More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228177
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(COC)n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O3S/c1-4-35-21-27-7-14(8-28-21)15-5-17(22(23,24)25)36-20(15)16-9-26-6-13(2)32(16)19(33)10-31-12-29-18(30-31)11-34-3/h5,7-8,12-13,16,26H,4,6,9-11H2,1-3H3
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IDORSIA 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...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228179
PNG
(2-(3-Ethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methyl-4-...)
Show SMILES CCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C21H21F6N7OS/c1-3-16-31-10-33(32-16)9-17(35)34-11(2)5-28-8-14(34)18-13(4-15(36-18)20(22,23)24)12-6-29-19(30-7-12)21(25,26)27/h4,6-7,10-11,14,28H,3,5,8-9H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228180
PNG
(2-(3-Isopropyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methy...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C22H23F6N7OS/c1-11(2)19-32-10-34(33-19)9-17(36)35-12(3)5-29-8-15(35)18-14(4-16(37-18)21(23,24)25)13-6-30-20(31-7-13)22(26,27)28/h4,6-7,10-12,15,29H,5,8-9H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228195
PNG
(2-(3-Methyl-[1,2,4]triazol-1-yl)-1-{(R)-2-methyl-4...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(C)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N7OS/c1-10-4-27-7-14(33(10)16(34)8-32-9-30-11(2)31-32)17-13(3-15(35-17)19(21,22)23)12-5-28-18(29-6-12)20(24,25)26/h3,5-6,9-10,14,27H,4,7-8H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228189
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C23H26F3N7OS/c1-3-19-30-12-32(31-19)11-20(34)33-13(2)7-27-10-17(33)21-16(6-18(35-21)23(24,25)26)15-8-28-22(29-9-15)14-4-5-14/h6,8-9,12-14,17,27H,3-5,7,10-11H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228194
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N7O2S/c1-4-33-20-26-7-14(8-27-20)15-5-17(21(22,23)24)34-19(15)16-9-25-6-12(2)31(16)18(32)10-30-11-28-13(3)29-30/h5,7-8,11-12,16,25H,4,6,9-10H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228185
PNG
(1-{(R)-2-Methyl-4-[2-trifluoromethyl-4-(2-trifluor...)
Show SMILES CCCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C22H23F6N7OS/c1-3-4-17-32-11-34(33-17)10-18(36)35-12(2)6-29-9-15(35)19-14(5-16(37-19)21(23,24)25)13-7-30-20(31-8-13)22(26,27)28/h5,7-8,11-12,15,29H,3-4,6,9-10H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228175
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(CC)n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O2S/c1-4-18-29-12-31(30-18)11-19(33)32-13(3)7-26-10-16(32)20-15(6-17(35-20)22(23,24)25)14-8-27-21(28-9-14)34-5-2/h6,8-9,12-13,16,26H,4-5,7,10-11H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228174
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C23H28F3N7O2S/c1-5-35-22-28-8-15(9-29-22)16-6-18(23(24,25)26)36-20(16)17-10-27-7-14(4)33(17)19(34)11-32-12-30-21(31-32)13(2)3/h6,8-9,12-14,17,27H,5,7,10-11H2,1-4H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228181
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-2-meth...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H25F6N7OS/c1-12-6-30-9-15(36(12)17(37)10-35-11-33-19(34-35)21(2,3)4)18-14(5-16(38-18)22(24,25)26)13-7-31-20(32-8-13)23(27,28)29/h5,7-8,11-12,15,30H,6,9-10H2,1-4H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228188
PNG
(1-{(R)-4-[4-(2-Cyclobutoxy-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CCO2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7O2S/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-17(34)21-16(6-19(37-21)24(25,26)27)15-8-29-23(30-9-15)18-4-5-36-18/h6,8-9,12-14,17-18,28H,4-5,7,10-11H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228198
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(C)n1)c1sc(cc1-c1cnc(nc1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N7OS/c1-12-6-26-9-17(32(12)19(33)10-31-11-29-13(2)30-31)20-16(5-18(34-20)22(23,24)25)15-7-27-21(28-8-15)14-3-4-14/h5,7-8,11-12,14,17,26H,3-4,6,9-10H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228190
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES CC(C)c1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N7OS/c1-13(2)22-31-12-33(32-22)11-20(35)34-14(3)7-28-10-18(34)21-17(6-19(36-21)24(25,26)27)16-8-29-23(30-9-16)15-4-5-15/h6,8-9,12-15,18,28H,4-5,7,10-11H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228176
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(n1)C(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C24H30F3N7O2S/c1-6-36-22-29-9-15(10-30-22)16-7-18(24(25,26)27)37-20(16)17-11-28-8-14(2)34(17)19(35)12-33-13-31-21(32-33)23(3,4)5/h7,9-10,13-14,17,28H,6,8,11-12H2,1-5H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228186
PNG
(2-[3-(1-Hydroxy-ethyl)-[1,2,4]triazol-1-yl]-1-{(R)...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(CCO)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H21F6N7O2S/c1-11-5-28-8-14(34(11)17(36)9-33-10-31-16(32-33)2-3-35)18-13(4-15(37-18)20(22,23)24)12-6-29-19(30-7-12)21(25,26)27/h4,6-7,10-11,14,28,35H,2-3,5,8-9H2,1H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228182
PNG
(2-(3-Methoxymethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-m...)
Show SMILES COCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C21H21F6N7O2S/c1-11-4-28-7-14(34(11)17(35)8-33-10-31-16(32-33)9-36-2)18-13(3-15(37-18)20(22,23)24)12-5-29-19(30-6-12)21(25,26)27/h3,5-6,10-11,14,28H,4,7-9H2,1-2H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228191
PNG
(2-(3-tert-Butyl-[1,2,4]triazol-1-yl)-1-{(R)-4-[4-(...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)C)c1sc(cc1-c1cnc(nc1)C1CC1)C(F)(F)F
Show InChI InChI=1S/C25H30F3N7OS/c1-14-8-29-11-18(35(14)20(36)12-34-13-32-23(33-34)24(2,3)4)21-17(7-19(37-21)25(26,27)28)16-9-30-22(31-10-16)15-5-6-15/h7,9-10,13-15,18,29H,5-6,8,11-12H2,1-4H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228184
PNG
(2-(3-Hydroxymethyl-[1,2,4]triazol-1-yl)-1-{(R)-2-m...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(CO)n1)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N7O2S/c1-10-3-27-6-13(33(10)16(35)7-32-9-30-15(8-34)31-32)17-12(2-14(36-17)19(21,22)23)11-4-28-18(29-5-11)20(24,25)26/h2,4-5,9-10,13,27,34H,3,6-8H2,1H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228187
PNG
(2-[3-(1-Hydroxy-1-methyl-ethyl)-[1,2,4]triazol-1-y...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(C)(C)O)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H23F6N7O2S/c1-11-5-29-8-14(35(11)16(36)9-34-10-32-18(33-34)20(2,3)37)17-13(4-15(38-17)21(23,24)25)12-6-30-19(31-7-12)22(26,27)28/h4,6-7,10-11,14,29,37H,5,8-9H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228177
PNG
(1-{(R)-4-[4-(2-Ethoxy-pyrimidin-5-yl)-2-trifluorom...)
Show SMILES CCOc1ncc(cn1)-c1cc(sc1C1CNCC(C)N1C(=O)Cn1cnc(COC)n1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O3S/c1-4-35-21-27-7-14(8-28-21)15-5-17(22(23,24)25)36-20(15)16-9-26-6-13(2)32(16)19(33)10-31-12-29-18(30-31)11-34-3/h5,7-8,12-13,16,26H,4,6,9-11H2,1-3H3
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IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228192
PNG
(1-{(R)-4-[4-(2-Cyclopropyl-pyrimidin-5-yl)-2-trifl...)
Show SMILES COCc1ncn(CC(=O)N2C(C)CNCC2c2sc(cc2-c2cnc(nc2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C23H26F3N7O2S/c1-13-6-27-9-17(33(13)20(34)10-32-12-30-19(31-32)11-35-2)21-16(5-18(36-21)23(24,25)26)15-7-28-22(29-8-15)14-3-4-14/h5,7-8,12-14,17,27H,3-4,6,9-11H2,1-2H3
UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.39E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM228178
PNG
(1-(2-{(R)-2-Methyl-4-[2-trifluoromethyl-4-(2-trifl...)
Show SMILES CC1CNCC(N1C(=O)Cn1cnc(n1)C(N)=O)c1sc(cc1-c1cnc(nc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H18F6N8O2S/c1-9-3-28-6-12(34(9)14(35)7-33-8-31-17(32-33)16(27)36)15-11(2-13(37-15)19(21,22)23)10-4-29-18(30-5-10)20(24,25)26/h2,4-5,8-9,12,28H,3,6-7H2,1H3,(H2,27,36)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.71E+3n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD.

US Patent


Assay Description
Stock solutions of test compounds are made up at a concentration of 10 mM in DMSO, and serially diluted in PBS containing 0.5% BSA to concentrations ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%