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Compile Data Set for Download or QSAR

Found 5 hits of ec50 data for polymerid = 50000941,50006419   
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 3


(Homo sapiens (Human))
BDBM50239161
PNG
(CHEMBL4085233)
Show SMILES CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(cc3)C(F)(F)F)c2n1
Show InChI InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3
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n/an/an/an/a 19n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (MOE) and Hubei Provinc

Curated by ChEMBL


Assay Description
Agonist activity at human TRPC3 expressed in HEK293 cells assessed as induction of membrane depolarization measured for 2.5 mins in presence of 0.5 m...


J Med Chem 60: 4680-4692 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00304
BindingDB Entry DOI: 10.7270/Q2D220RN
More data for this
Ligand-Target Pair
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50239160
PNG
(CHEMBL4060387)
Show SMILES Cc1nn2c(O)cc(nc2c1-c1ccc(Cl)cc1)C1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H25ClN4O3/c1-17-24(20-7-9-21(27)10-8-20)25-28-22(15-23(32)31(25)29-17)19-11-13-30(14-12-19)26(33)34-16-18-5-3-2-4-6-18/h2-10,15,19,32H,11-14,16H2,1H3
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n/an/an/an/a 138n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (MOE) and Hubei Provinc

Curated by ChEMBL


Assay Description
Agonist activity at human TRPC3 expressed in HEK293 cells assessed as induction of membrane depolarization measured for 2.5 mins in presence of 0.5 m...


J Med Chem 60: 4680-4692 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00304
BindingDB Entry DOI: 10.7270/Q2D220RN
More data for this
Ligand-Target Pair
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50239162
PNG
(CHEMBL4060400)
Show SMILES Cc1nn2c(O)cc(nc2c1-c1ccc(F)cc1)C1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H25FN4O3/c1-17-24(20-7-9-21(27)10-8-20)25-28-22(15-23(32)31(25)29-17)19-11-13-30(14-12-19)26(33)34-16-18-5-3-2-4-6-18/h2-10,15,19,32H,11-14,16H2,1H3
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n/an/an/an/a 236n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (MOE) and Hubei Provinc

Curated by ChEMBL


Assay Description
Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.


J Med Chem 60: 4680-4692 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00304
BindingDB Entry DOI: 10.7270/Q2D220RN
More data for this
Ligand-Target Pair
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50239167
PNG
(CHEMBL1496110)
Show SMILES CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(F)cc3)c2n1
Show InChI InChI=1S/C21H23FN4O3/c1-3-29-21(28)25-10-8-14(9-11-25)17-12-18(27)26-20(23-17)19(13(2)24-26)15-4-6-16(22)7-5-15/h4-7,12,14,27H,3,8-11H2,1-2H3
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MCE
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n/an/an/an/a 450n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (MOE) and Hubei Provinc

Curated by ChEMBL


Assay Description
Agonist activity at human TRPC3 expressed in HEK293 cells assessed as induction of membrane depolarization measured for 2.5 mins in presence of 0.5 m...


J Med Chem 60: 4680-4692 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00304
BindingDB Entry DOI: 10.7270/Q2D220RN
More data for this
Ligand-Target Pair
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50044849
PNG
(CHEMBL3311308)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
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n/an/an/an/a<5.01E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Induction of human TRPC3 opening expressed in HEK cells by MSRII FLIPR/summary (Abse5) assay


Bioorg Med Chem Lett 24: 3100-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.012
BindingDB Entry DOI: 10.7270/Q2CC1292
More data for this
Ligand-Target Pair