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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P48995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450630
PNG
(CHEMBL101896)
Show SMILES Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450629
PNG
(CHEMBL4177187)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1
Show InChI InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450627
PNG
(CHEMBL4162062)
Show SMILES CC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H18F3N5O4/c1-13(2)35-22(34)18-11-27-31(20(18)23(24,25)26)17-8-6-16(7-9-17)30-12-19(28-29-30)14-4-3-5-15(10-14)21(32)33/h3-13H,1-2H3,(H,32,33)
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair
Short transient receptor potential channel 1


(Homo sapiens)
BDBM50450628
PNG
(CHEMBL4172741)
Show SMILES CCCC(C)OC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H22F3N5O4/c1-3-5-15(2)37-24(36)20-13-29-33(22(20)25(26,27)28)19-10-8-18(9-11-19)32-14-21(30-31-32)16-6-4-7-17(12-16)23(34)35/h4,6-15H,3,5H2,1-2H3,(H,34,35)
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Modulation of TRPC1/TRPC3/STIM1/Orai1 in HEK cells assessed as induction of store-operated calcium entry by measuring residual activity preincubated ...


J Med Chem 61: 9756-9783 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01512
BindingDB Entry DOI: 10.7270/Q2QV3Q2G
More data for this
Ligand-Target Pair