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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Calcium release-activated calcium channel'   
Target
(Institution)
LigandTarget
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


(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/an/a



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)

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/an/a



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)

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/an/a



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)

More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(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
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n/an/a 86.1n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50064638
PNG
(CHEMBL3403744)
Show SMILES Cn1nc(cc1-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H11ClF4N4/c1-27-14(7-15(26-27)18(21,22)23)10-5-9-6-13(25-17(9)24-8-10)16-11(19)3-2-4-12(16)20/h2-8H,1H3,(H,24,25)
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n/an/a<100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Citation and Details
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50064639
PNG
(CHEMBL3403751)
Show SMILES COc1cc(C)c(cn1)-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C20H15ClFN3O/c1-11-6-18(26-2)23-10-14(11)13-7-12-8-17(25-20(12)24-9-13)19-15(21)4-3-5-16(19)22/h3-10H,1-2H3,(H,24,25)
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n/an/a 104n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Citation and Details
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/an/a



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)

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/an/a



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)

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/an/a



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)

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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n/an/a 183n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(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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n/an/a 263n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(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)
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n/an/a 383n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50064640
PNG
(CHEMBL3403753)
Show SMILES COc1cc(OC)c(cn1)-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C20H15ClFN3O2/c1-26-17-8-18(27-2)23-10-13(17)12-6-11-7-16(25-20(11)24-9-12)19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,24,25)
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n/an/a 440n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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400n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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560n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM81819
PNG
(Benzamil | CAS_1937-37-7 | CHEMBL212579 | NSC_1081...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1
Show InChI InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
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2.70E+3n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM16173
PNG
(3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinam...)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
Show InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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Duphar B.V.

Curated by PDSP Ki Database




Drug Metabol Drug Interact 8: 85-114 (1990)

More data for this
Ligand-Target Pair
Calcium channel (VER)


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)

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Ligand-Target Pair