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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'vakkalanka' and Initial = 'sk'   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM184555
PNG
(US9150579, A1)
Show SMILES CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccccc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
Show InChI InChI=1S/C31H25F2N5O3/c1-16(2)40-24-12-11-19(14-22(24)33)27-26-30(34)35-15-36-31(26)38(37-27)17(3)29-25(18-7-6-8-20(32)13-18)28(39)21-9-4-5-10-23(21)41-29/h4-17H,1-3H3,(H2,34,35,36)/t17-/m0/s1
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n/an/a 13.8n/an/an/an/an/a25



Rhizen Pharmaceuticals SA

US Patent


Assay Description
The homogenous time resolved fluorescence (HTRF) assay allows detection of 3,4,5-triphosphate (PIP3) formed as a result of phosphorylation of phosp...


US Patent US9150579 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KD5
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141416
PNG
(US8921364, 67)
Show SMILES Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N4O/c20-15-10-24-8-7-14(15)18(28)25-12-3-5-13(6-4-12)27-16(11-1-2-11)9-17(26-27)19(21,22)23/h3-11H,1-2H2,(H,25,28)
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n/an/a 20.4n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141426
PNG
(US8921364, 84)
Show SMILES Cc1oncc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4O2/c1-9-12(8-23-28-9)17(27)24-11-4-5-14(13(19)6-11)26-15(10-2-3-10)7-16(25-26)18(20,21)22/h4-8,10H,2-3H2,1H3,(H,24,27)
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n/an/a 20.8n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM184556
PNG
(US9150579, B1)
Show SMILES CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
Show InChI InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m0/s1
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n/an/a 22.3n/an/an/an/an/a25



Rhizen Pharmaceuticals SA

US Patent


Assay Description
The homogenous time resolved fluorescence (HTRF) assay allows detection of 3,4,5-triphosphate (PIP3) formed as a result of phosphorylation of phosp...


US Patent US9150579 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KD5
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141438
PNG
(US8921364, 104)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O/c1-12-4-2-3-5-15(12)19(28)25-14-8-9-18(24-11-14)27-16(13-6-7-13)10-17(26-27)20(21,22)23/h2-5,8-11,13H,6-7H2,1H3,(H,25,28)
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n/an/a 23.0n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM184554
PNG
(US9150579, B)
Show SMILES CC(C)Oc1ccc(cc1F)-c1nn(C(C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
Show InChI InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)
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n/an/a 24.9n/an/an/an/an/a25



Rhizen Pharmaceuticals SA

US Patent


Assay Description
The homogenous time resolved fluorescence (HTRF) assay allows detection of 3,4,5-triphosphate (PIP3) formed as a result of phosphorylation of phosp...


US Patent US9150579 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KD5
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141428
PNG
(US8921364, 87)
Show SMILES Fc1cccc(C(=O)Nc2ccc(c(F)c2)-n2nc(cc2C2CC2)C(F)(F)F)c1F
Show InChI InChI=1S/C20H13F6N3O/c21-13-3-1-2-12(18(13)23)19(30)27-11-6-7-15(14(22)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
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n/an/a 32.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141421
PNG
(US8921364, 78)
Show SMILES Cc1ncsc1NC(=O)c1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4OS/c1-10-17(27-9-22-10)23-16(26)12-4-6-13(7-5-12)25-14(11-2-3-11)8-15(24-25)18(19,20)21/h4-9,11H,2-3H2,1H3,(H,23,26)
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n/an/a 34.1n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141424
PNG
(US8921364, 82)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N5OS/c1-8-15(28-25-23-8)16(27)22-10-4-5-12(11(18)6-10)26-13(9-2-3-9)7-14(24-26)17(19,20)21/h4-7,9H,2-3H2,1H3,(H,22,27)
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n/an/a 35.7n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141396
PNG
(US8921364, 7)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C23H23N3O/c1-15-4-2-3-5-20(15)23(27)24-18-10-12-19(13-11-18)26-22(17-8-9-17)14-21(25-26)16-6-7-16/h2-5,10-14,16-17H,6-9H2,1H3,(H,24,27)
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n/an/a 36.4n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM184559
PNG
(US9150579, A)
Show SMILES CC(C)Oc1ccc(cc1F)-c1nn(C(C)c2oc3ccccc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12
Show InChI InChI=1S/C31H25F2N5O3/c1-16(2)40-24-12-11-19(14-22(24)33)27-26-30(34)35-15-36-31(26)38(37-27)17(3)29-25(18-7-6-8-20(32)13-18)28(39)21-9-4-5-10-23(21)41-29/h4-17H,1-3H3,(H2,34,35,36)
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n/an/a 37.3n/an/an/an/an/a25



Rhizen Pharmaceuticals SA

US Patent


Assay Description
The homogenous time resolved fluorescence (HTRF) assay allows detection of 3,4,5-triphosphate (PIP3) formed as a result of phosphorylation of phosp...


US Patent US9150579 (2015)


BindingDB Entry DOI: 10.7270/Q26T0KD5
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141444
PNG
(US8921364, 114)
Show SMILES Fc1cnccc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H13F4N5O/c19-13-9-23-6-5-12(13)17(28)25-11-3-4-16(24-8-11)27-14(10-1-2-10)7-15(26-27)18(20,21)22/h3-10H,1-2H2,(H,25,28)
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n/an/a 37.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152937
PNG
(US8993612, 20)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C21H17F3N6O/c22-21(23,24)19-11-18(13-5-6-13)30(27-19)15-9-7-14(8-10-15)25-20(31)12-29-17-4-2-1-3-16(17)26-28-29/h1-4,7-11,13H,5-6,12H2,(H,25,31)
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n/an/a 39.2n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141442
PNG
(US8921364, 111)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2cccnc2)cn1
Show InChI InChI=1S/C18H14F3N5O/c19-18(20,21)15-8-14(11-3-4-11)26(25-15)16-6-5-13(10-23-16)24-17(27)12-2-1-7-22-9-12/h1-2,5-11H,3-4H2,(H,24,27)
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n/an/a 47.2n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141419
PNG
(US8921364, 74)
Show SMILES Cc1ncsc1CNc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4S/c1-11-16(26-10-23-11)9-22-13-4-6-14(7-5-13)25-15(12-2-3-12)8-17(24-25)18(19,20)21/h4-8,10,12,22H,2-3,9H2,1H3
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n/an/a 48.0n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141425
PNG
(US8921364, 83)
Show SMILES Cc1ncsc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N4OS/c1-9-16(28-8-23-9)17(27)24-11-4-5-13(12(19)6-11)26-14(10-2-3-10)7-15(25-26)18(20,21)22/h4-8,10H,2-3H2,1H3,(H,24,27)
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n/an/a 48.2n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141418
PNG
(US8921364, 72)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)Cc2cccnc2)cc1
Show InChI InChI=1S/C20H17F3N4O/c21-20(22,23)18-11-17(14-3-4-14)27(26-18)16-7-5-15(6-8-16)25-19(28)10-13-2-1-9-24-12-13/h1-2,5-9,11-12,14H,3-4,10H2,(H,25,28)
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n/an/a 48.2n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141441
PNG
(US8921364, 108)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H13F5N4O/c20-12-2-1-3-13(21)17(12)18(29)26-11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24/h1-3,6-10H,4-5H2,(H,26,29)
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n/an/a 50.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152932
PNG
(US8993612, 6)
Show SMILES O=C(Cn1nnc2ccccc12)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C23H22N6O/c30-23(14-28-21-4-2-1-3-19(21)25-27-28)24-17-9-11-18(12-10-17)29-22(16-7-8-16)13-20(26-29)15-5-6-15/h1-4,9-13,15-16H,5-8,14H2,(H,24,30)
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n/an/a 51.3n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141448
PNG
(US8921364, 126)
Show SMILES Cc1ncsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F5N4OS/c1-8-13(27-7-22-8)15(26)23-9-2-4-10(5-3-9)25-11(14(17)18)6-12(24-25)16(19,20)21/h2-7,14H,1H3,(H,23,26)
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n/an/a 52.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152936
PNG
(US8993612, 18)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2ccc3nccnc3c2)cc1
Show InChI InChI=1S/C22H16F3N5O/c23-22(24,25)20-12-19(13-1-2-13)30(29-20)16-6-4-15(5-7-16)28-21(31)14-3-8-17-18(11-14)27-10-9-26-17/h3-13H,1-2H2,(H,28,31)
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n/an/a 53.4n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141439
PNG
(US8921364, 106)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H14F4N4O/c20-14-4-2-1-3-13(14)18(28)25-12-7-8-17(24-10-12)27-15(11-5-6-11)9-16(26-27)19(21,22)23/h1-4,7-11H,5-6H2,(H,25,28)
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n/an/a 60n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141402
PNG
(US8921364, 28)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C19H18FN5OS/c1-10-18(27-24-22-10)19(26)21-13-6-7-16(14(20)8-13)25-17(12-4-5-12)9-15(23-25)11-2-3-11/h6-9,11-12H,2-5H2,1H3,(H,21,26)
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n/an/a 60.3n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141393
PNG
(US8921364, 1)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C19H19N5OS/c1-11-18(26-23-21-11)19(25)20-14-6-8-15(9-7-14)24-17(13-4-5-13)10-16(22-24)12-2-3-12/h6-10,12-13H,2-5H2,1H3,(H,20,25)
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n/an/a 62.4n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141443
PNG
(US8921364, 113)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2ccncc2)cn1
Show InChI InChI=1S/C18H14F3N5O/c19-18(20,21)15-9-14(11-1-2-11)26(25-15)16-4-3-13(10-23-16)24-17(27)12-5-7-22-8-6-12/h3-11H,1-2H2,(H,24,27)
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n/an/a 62.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141412
PNG
(US8921364, 56)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4O2/c1-10-14(9-22-27-10)17(26)23-12-4-6-13(7-5-12)25-15(11-2-3-11)8-16(24-25)18(19,20)21/h4-9,11H,2-3H2,1H3,(H,23,26)
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n/an/a 63.2n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141409
PNG
(US8921364, 49)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C19H13Cl2F3N4O/c20-13-8-25-9-14(21)17(13)18(29)26-11-3-5-12(6-4-11)28-15(10-1-2-10)7-16(27-28)19(22,23)24/h3-10H,1-2H2,(H,26,29)
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n/an/a 65.5n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141440
PNG
(US8921364, 107)
Show SMILES Fc1cccc(C(=O)Nc2ccc(nc2)-n2nc(cc2C2CC2)C(F)(F)F)c1F
Show InChI InChI=1S/C19H13F5N4O/c20-13-3-1-2-12(17(13)21)18(29)26-11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24/h1-3,6-10H,4-5H2,(H,26,29)
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n/an/a 70.3n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141411
PNG
(US8921364, 53)
Show SMILES Cc1ncsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N4OS/c1-10-16(27-9-22-10)17(26)23-12-4-6-13(7-5-12)25-14(11-2-3-11)8-15(24-25)18(19,20)21/h4-9,11H,2-3H2,1H3,(H,23,26)
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n/an/a 72.0n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141445
PNG
(US8921364, 122)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H13F5N4O/c20-12-2-1-3-13(21)17(12)26-18(29)11-6-7-16(25-9-11)28-14(10-4-5-10)8-15(27-28)19(22,23)24/h1-3,6-10H,4-5H2,(H,26,29)
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n/an/a 72.1n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141434
PNG
(US8921364, 93)
Show SMILES Cc1ncncc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H15F4N5O/c1-10-13(8-24-9-25-10)18(29)26-12-4-5-15(14(20)6-12)28-16(11-2-3-11)7-17(27-28)19(21,22)23/h4-9,11H,2-3H2,1H3,(H,26,29)
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n/an/a 81.3n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152935
PNG
(US8993612, 17)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C23H17F3N4O.ClH/c24-23(25,26)21-13-20(14-3-4-14)30(29-21)18-8-6-17(7-9-18)28-22(31)16-5-10-19-15(12-16)2-1-11-27-19;/h1-2,5-14H,3-4H2,(H,28,31);1H
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n/an/a 86.1n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141429
PNG
(US8921364, 88)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C20H13F6N3O/c21-12-2-1-3-13(22)18(12)19(30)27-11-6-7-15(14(23)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
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n/an/a 98.6n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141436
PNG
(US8921364, 100)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C20H13F6N3O/c21-12-2-1-3-13(22)18(12)27-19(30)11-6-7-15(14(23)8-11)29-16(10-4-5-10)9-17(28-29)20(24,25)26/h1-3,6-10H,4-5H2,(H,27,30)
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n/an/a 99.7n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141414
PNG
(US8921364, 60)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N3O/c1-13-4-2-3-5-17(13)20(28)25-15-8-10-16(11-9-15)27-18(14-6-7-14)12-19(26-27)21(22,23)24/h2-5,8-12,14H,6-7H2,1H3,(H,25,28)
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n/an/a 120n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141422
PNG
(US8921364, 79)
Show SMILES Fc1cccc(F)c1NC(=O)c1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C20H14F5N3O/c21-14-2-1-3-15(22)18(14)26-19(29)12-6-8-13(9-7-12)28-16(11-4-5-11)10-17(27-28)20(23,24)25/h1-3,6-11H,4-5H2,(H,26,29)
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n/an/a 124n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141413
PNG
(US8921364, 57)
Show SMILES Cc1noc(C)c1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O2/c1-10-17(11(2)28-25-10)18(27)23-13-5-7-14(8-6-13)26-15(12-3-4-12)9-16(24-26)19(20,21)22/h5-9,12H,3-4H2,1-2H3,(H,23,27)
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n/an/a 125n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141399
PNG
(US8921364, 17)
Show SMILES Clc1cncc(Cl)c1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C21H18Cl2N4O/c22-16-10-24-11-17(23)20(16)21(28)25-14-5-7-15(8-6-14)27-19(13-3-4-13)9-18(26-27)12-1-2-12/h5-13H,1-4H2,(H,25,28)
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n/an/a 130n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152938
PNG
(US8993612, 21)
Show SMILES FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)Cn2nc3ccccc3n2)cc1
Show InChI InChI=1S/C21H17F3N6O/c22-21(23,24)19-11-18(13-5-6-13)30(28-19)15-9-7-14(8-10-15)25-20(31)12-29-26-16-3-1-2-4-17(16)27-29/h1-4,7-11,13H,5-6,12H2,(H,25,31)
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n/an/a 139n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141397
PNG
(US8921364, 15)
Show SMILES O=C(Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1)c1ccncc1
Show InChI InChI=1S/C21H20N4O/c26-21(16-9-11-22-12-10-16)23-17-5-7-18(8-6-17)25-20(15-3-4-15)13-19(24-25)14-1-2-14/h5-15H,1-4H2,(H,23,26)
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n/an/a 141n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141403
PNG
(US8921364, 33)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C22H18F3N3O/c23-15-2-1-3-16(24)21(15)22(29)26-14-8-9-19(17(25)10-14)28-20(13-6-7-13)11-18(27-28)12-4-5-12/h1-3,8-13H,4-7H2,(H,26,29)
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n/an/a 145n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152933
PNG
(US8993612, 10)
Show SMILES O=C(Cc1ccc2ncccc2c1)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C26H24N4O/c31-26(15-17-3-12-23-20(14-17)2-1-13-27-23)28-21-8-10-22(11-9-21)30-25(19-6-7-19)16-24(29-30)18-4-5-18/h1-3,8-14,16,18-19H,4-7,15H2,(H,28,31)
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n/an/a 147n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141427
PNG
(US8921364, 86)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H17F4N3O/c1-12-4-2-3-5-15(12)20(29)26-14-8-9-17(16(22)10-14)28-18(13-6-7-13)11-19(27-28)21(23,24)25/h2-5,8-11,13H,6-7H2,1H3,(H,26,29)
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n/an/a 147n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141437
PNG
(US8921364, 101)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N6OS/c1-8-14(27-24-22-8)15(26)21-10-4-5-13(20-7-10)25-11(9-2-3-9)6-12(23-25)16(17,18)19/h4-7,9H,2-3H2,1H3,(H,21,26)
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Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141432
PNG
(US8921364, 91)
Show SMILES Fc1cnccc1C(=O)Nc1ccc(c(F)c1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H13F5N4O/c20-13-7-11(26-18(29)12-5-6-25-9-14(12)21)3-4-15(13)28-16(10-1-2-10)8-17(27-28)19(22,23)24/h3-10H,1-2H2,(H,26,29)
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n/an/a 159n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141433
PNG
(US8921364, 92)
Show SMILES Fc1cc(NC(=O)c2c(Cl)cncc2Cl)ccc1-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C19H12Cl2F4N4O/c20-11-7-26-8-12(21)17(11)18(30)27-10-3-4-14(13(22)5-10)29-15(9-1-2-9)6-16(28-29)19(23,24)25/h3-9H,1-2H2,(H,27,30)
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n/an/a 159n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152939
PNG
(US8993612, 30)
Show SMILES Fc1cc(NC(=O)Cn2nnc3ccccc23)ccc1-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N6O/c22-14-9-13(26-20(32)11-30-17-4-2-1-3-15(17)27-29-30)7-8-16(14)31-18(12-5-6-12)10-19(28-31)21(23,24)25/h1-4,7-10,12H,5-6,11H2,(H,26,32)
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n/an/a 161n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141406
PNG
(US8921364, 37)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(c(F)c1)-n1nc(C2CC2)c(Cl)c1C1CC1
Show InChI InChI=1S/C19H17ClFN5OS/c1-9-18(28-25-23-9)19(27)22-12-6-7-14(13(21)8-12)26-17(11-4-5-11)15(20)16(24-26)10-2-3-10/h6-8,10-11H,2-5H2,1H3,(H,22,27)
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Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM152930
PNG
(US8993612, 2)
Show SMILES O=C(Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1)c1ccc2nn[nH]c2c1
Show InChI InChI=1S/C22H20N6O/c29-22(15-5-10-18-20(11-15)25-27-24-18)23-16-6-8-17(9-7-16)28-21(14-3-4-14)12-19(26-28)13-1-2-13/h5-14H,1-4H2,(H,23,29)(H,24,25,27)
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Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8993612 (2015)


BindingDB Entry DOI: 10.7270/Q2CN72NK
More data for this
Ligand-Target Pair
Calcium release-activated calcium (CRAC)


(Homo sapiens (Human))
BDBM141410
PNG
(US8921364, 52)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N5OS/c1-9-15(27-24-22-9)16(26)21-11-4-6-12(7-5-11)25-13(10-2-3-10)8-14(23-25)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,21,26)
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n/an/a 184n/an/an/an/an/a37



Rhizen Pharmaceuticals SA

US Patent


Assay Description
Inhibition of CRAC channels was determined following thapsigargin (Sigma, Cat # T9033) induced endoplasmic calcium release in Jurkat cells. (see Yasu...


US Patent US8921364 (2014)


BindingDB Entry DOI: 10.7270/Q2N58K3N
More data for this
Ligand-Target Pair
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