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Compile Data Set for Download or QSAR

Found 3 hits of ki data for polymerid = 50003143,50007720   
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
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50338167
PNG
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)
Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r|
Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to Cav3.3 alpha1i


Bioorg Med Chem Lett 21: 1692-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50338166
PNG
((R)-2-(4-tert-butylphenyl)-N-(1-(5-methoxypyridin-...)
Show SMILES COc1ccc(nc1)[C@@H](C)NC(=O)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay


Bioorg Med Chem Lett 21: 1692-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50452245
PNG
(Act-709478)
Show SMILES FC(F)(F)C1(CC1)c1ccc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)cc1
Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
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20n/an/an/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding activity to inactivated state of recombinant human Cav3.3 expressed in CHO cells assessed as inhibition of tail current amplitude by whole ce...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair