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Patent code US8993612

Compile Data Set for Download or QSAR
Found 10 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
Calcium release-activated calcium channel protein 1


(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)
PDB

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UniProtKB/SwissProt

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US Patent
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 channel protein 1


(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)
PDB

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UniProtKB/SwissProt

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UniChem

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US Patent
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 channel protein 1


(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)
PDB

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UniProtKB/SwissProt

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US Patent
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 channel protein 1


(Homo sapiens (Human))
BDBM152935
PNG
(US8993612, 17)
Show SMILES Cl.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
PDB

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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 channel protein 1


(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)
PDB

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UniProtKB/SwissProt

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US Patent
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 channel protein 1


(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)
PDB

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US Patent
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 channel protein 1


(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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US Patent
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 channel protein 1


(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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n/an/a 183n/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 channel protein 1


(Homo sapiens (Human))
BDBM152934
PNG
(US8993612, 12)
Show SMILES Fc1cc(NC(=O)Cc2ccc3ncccc3c2)ccc1-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C26H23FN4O/c27-21-14-20(29-26(32)13-16-3-9-22-19(12-16)2-1-11-28-22)8-10-24(21)31-25(18-6-7-18)15-23(30-31)17-4-5-17/h1-3,8-12,14-15,17-18H,4-7,13H2,(H,29,32)
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UniProtKB/SwissProt

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US Patent
n/an/a 263n/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 channel protein 1


(Homo sapiens (Human))
BDBM152931
PNG
(US8993612, 5)
Show SMILES O=C(Cn1cnc2ccccc12)Nc1ccc(cc1)-n1nc(cc1C1CC1)C1CC1
Show InChI InChI=1S/C24H23N5O/c30-24(14-28-15-25-20-3-1-2-4-22(20)28)26-18-9-11-19(12-10-18)29-23(17-7-8-17)13-21(27-29)16-5-6-16/h1-4,9-13,15-17H,5-8,14H2,(H,26,30)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 383n/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
* indicates data uncertainty>20%