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PubMed code 16876404

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192093
PNG
(CHEMBL386255 | cis-5-(4-chlorobenzyl)-N-benzyl-6-o...)
Show SMILES Clc1ccc(C[C@@H]2N[C@@H](COC2=O)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C19H19ClN2O3/c20-15-8-6-13(7-9-15)10-16-19(24)25-12-17(22-16)18(23)21-11-14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)/t16-,17-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192090
PNG
(CHEMBL424892 | cis-5-isopropyl-6-oxo-morpholine-3-...)
Show SMILES CC(C)[C@@H]1N[C@@H](COC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C15H20N2O3/c1-10(2)13-15(19)20-9-12(17-13)14(18)16-8-11-6-4-3-5-7-11/h3-7,10,12-13,17H,8-9H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192085
PNG
(CHEMBL215688 | cis-N,5-dibenzyl-6-oxomorpholine-3-...)
Show SMILES O=C(NCc1ccccc1)[C@@H]1COC(=O)[C@H](Cc2ccccc2)N1
Show InChI InChI=1S/C19H20N2O3/c22-18(20-12-15-9-5-2-6-10-15)17-13-24-19(23)16(21-17)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17-/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192088
PNG
(CHEMBL438287 | cis-5-(4-nitrobenzyl)-N-benzyl-6-ox...)
Show SMILES [O-][N+](=O)c1ccc(C[C@@H]2N[C@@H](COC2=O)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C19H19N3O5/c23-18(20-11-14-4-2-1-3-5-14)17-12-27-19(24)16(21-17)10-13-6-8-15(9-7-13)22(25)26/h1-9,16-17,21H,10-12H2,(H,20,23)/t16-,17-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192092
PNG
(CHEMBL384620 | cis-N-benzyl-5-((R)-sec-butyl)-6-ox...)
Show SMILES CCC(C)[C@@H]1N[C@@H](COC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H22N2O3/c1-3-11(2)14-16(20)21-10-13(18-14)15(19)17-9-12-7-5-4-6-8-12/h4-8,11,13-14,18H,3,9-10H2,1-2H3,(H,17,19)/t11?,13-,14-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192089
PNG
(CHEMBL384456 | trans-5-(4-chlorobenzyl)-6-oxo-N-((...)
Show SMILES C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc(Cl)cc2)N1)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O3/c1-13(15-5-3-2-4-6-15)22-19(24)18-12-26-20(25)17(23-18)11-14-7-9-16(21)10-8-14/h2-10,13,17-18,23H,11-12H2,1H3,(H,22,24)/t13-,17-,18+/m0/s1
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n/an/a 1.33E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type 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
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
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n/an/a 1.34E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192086
PNG
(CHEMBL385050 | cis-5-(4-hydroxybenzyl)-6-oxo-N-((S...)
Show SMILES C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(O)cc2)N1)c1ccccc1
Show InChI InChI=1S/C20H22N2O4/c1-13(15-5-3-2-4-6-15)21-19(24)18-12-26-20(25)17(22-18)11-14-7-9-16(23)10-8-14/h2-10,13,17-18,22-23H,11-12H2,1H3,(H,21,24)/t13-,17-,18-/m0/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192087
PNG
(CHEMBL215629 | trans-5-(4-fluorobenzyl)-6-oxo-N-((...)
Show SMILES C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)N1)c1ccccc1
Show InChI InChI=1S/C20H21FN2O3/c1-13(15-5-3-2-4-6-15)22-19(24)18-12-26-20(25)17(23-18)11-14-7-9-16(21)10-8-14/h2-10,13,17-18,23H,11-12H2,1H3,(H,22,24)/t13-,17-,18+/m0/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192097
PNG
(CHEMBL215982 | cis-5-(4-chlorobenzyl)-6-oxo-N-((S)...)
Show SMILES C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(Cl)cc2)N1)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O3/c1-13(15-5-3-2-4-6-15)22-19(24)18-12-26-20(25)17(23-18)11-14-7-9-16(21)10-8-14/h2-10,13,17-18,23H,11-12H2,1H3,(H,22,24)/t13-,17-,18-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192096
PNG
(CHEMBL215092 | cis-N-benzyl-5-(2-(methylthio)ethyl...)
Show SMILES CSCC[C@@H]1N[C@@H](COC1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C15H20N2O3S/c1-21-8-7-12-15(19)20-10-13(17-12)14(18)16-9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3,(H,16,18)/t12-,13-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192094
PNG
(CHEMBL214709 | cis-5-(4-methoxybenzyl)-N-benzyl-6-...)
Show SMILES COc1ccc(C[C@@H]2N[C@@H](COC2=O)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C20H22N2O4/c1-25-16-9-7-14(8-10-16)11-17-20(24)26-13-18(22-17)19(23)21-12-15-5-3-2-4-6-15/h2-10,17-18,22H,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192095
PNG
(CHEMBL215930 | cis-5-(4-nitrobenzyl)-6-oxo-N-((S)-...)
Show SMILES C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)N1)c1ccccc1
Show InChI InChI=1S/C20H21N3O5/c1-13(15-5-3-2-4-6-15)21-19(24)18-12-28-20(25)17(22-18)11-14-7-9-16(10-8-14)23(26)27/h2-10,13,17-18,22H,11-12H2,1H3,(H,21,24)/t13-,17-,18-/m0/s1
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n/an/a 2.13E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192091
PNG
(CHEMBL215215 | cis-5-benzyl-N-cyclohexyl-6-oxomorp...)
Show SMILES O=C(NC1CCCCC1)[C@@H]1COC(=O)[C@H](Cc2ccccc2)N1
Show InChI InChI=1S/C18H24N2O3/c21-17(19-14-9-5-2-6-10-14)16-12-23-18(22)15(20-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16,20H,2,5-6,9-12H2,(H,19,21)/t15-,16-/m0/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens (Human))
BDBM50192084
PNG
(CHEMBL215095 | cis-5-(4-fluorobenzyl)-N-benzyl-6-o...)
Show SMILES Fc1ccc(C[C@@H]2N[C@@H](COC2=O)C(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C19H19FN2O3/c20-15-8-6-13(7-9-15)10-16-19(24)25-12-17(22-16)18(23)21-11-14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)/t16-,17-/m0/s1
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n/an/a 2.75E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Ability to block calcium channel T type 3.1v expressed in HEK293 cells by whole cell patch clamp method


Bioorg Med Chem Lett 16: 5244-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.031
BindingDB Entry DOI: 10.7270/Q2N58KZV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%