BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Calcium release-activated calcium channel'   
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


(Homo sapiens (Human))
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
54n/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 release-activated calcium channel


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
400n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15071.x
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
560n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15071.x
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM81819
PNG
(Benzamil | CAS_1937-37-7 | CHEMBL212579 | NSC_1081...)
Show SMILES NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
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 release-activated calcium channel


(Homo sapiens (Human))
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PubMed
>1.00E+4n/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 release-activated calcium channel


(Homo sapiens (Human))
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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Duphar B.V.

Curated by PDSP Ki Database




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

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


(Homo sapiens (Human))
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15071.x
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
>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 release-activated calcium channel


(Homo sapiens (Human))
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




Br J Pharmacol 116: 2315-21 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb15071.x
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204536
PNG
(CHEMBL3984105)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(cc1)N(C)C(=O)c1ccncc1F
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1 (unknown origin) by patch clamp assay


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
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...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
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...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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)

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)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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...


Bioorg Med Chem Lett 25: 1217-22 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.063
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204536
PNG
(CHEMBL3984105)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(cc1)N(C)C(=O)c1ccncc1F
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204544
PNG
(CHEMBL262766)
Show SMILES Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204541
PNG
(CHEMBL3942942)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(nc1)-n1cnc2ccccc12
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.21E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204537
PNG
(CHEMBL100350)
Show SMILES FC(F)(F)c1cc(n(n1)-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204540
PNG
(CHEMBL3907105)
Show SMILES CCC(C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2\C=N\n2cnnc2)cc1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.99E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204543
PNG
(CHEMBL1545070)
Show SMILES COc1ccc(OCC(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)cc1 |(-12.98,-11.57,;-12.98,-10.03,;-11.64,-9.26,;-10.31,-10.03,;-8.98,-9.26,;-8.98,-7.72,;-7.64,-6.95,;-7.64,-5.41,;-6.31,-4.64,;-4.97,-5.41,;-6.31,-3.1,;-4.97,-2.33,;-4.97,-.79,;-6.31,-.02,;-7.64,-.79,;-7.64,-2.33,;-6.31,1.52,;-7.64,2.29,;-7.64,3.83,;-6.31,4.6,;-4.97,3.83,;-4.97,2.29,;-6.31,6.14,;-7.64,6.91,;-7.64,8.45,;-6.31,9.22,;-4.97,8.45,;-4.97,6.91,;-10.31,-6.95,;-11.64,-7.72,)|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9.40E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204535
PNG
(CHEMBL3972536)
Show SMILES Clc1cc(Cl)c(OCCOc2cccnc2)c(C=O)c1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204535
PNG
(CHEMBL3972536)
Show SMILES Clc1cc(Cl)c(OCCOc2cccnc2)c(C=O)c1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
More data for this
Ligand-Target Pair