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11 similar compounds to monomer 50178449

Compile data set for download or QSAR
Wt: 404.4
BDBM50178455
Wt: 404.4
BDBM50178456
Wt: 416.5
BDBM50178457
Wt: 416.5
BDBM50178463
Wt: 387.4
BDBM50178464
Wt: 420.9
BDBM50178480
Wt: 420.9
BDBM50178481
Wt: 338.4
BDBM50178484
Wt: 437.5
BDBM50178486
Wt: 387.4
BDBM50178487
Wt: 416.5
BDBM50178489

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50178455,50178456,50178457,50178463,50178464,50178480,50178481,50178484,50178486,50178487,50178489   
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-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178456
PNG
(CHEMBL202120 | N-(3-fluorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(F)c3)c2c1C
Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178457
PNG
(CHEMBL202255 | N-(4-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-22-13-9-20(10-14-22)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-7-11-21(30-5)12-8-19/h7-14H,6,15H2,1-5H3,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178455
PNG
(CHEMBL202170 | N-(4-fluorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178464
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-3-yl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccnc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-10-8-19(9-11-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-7-6-12-24-13-18/h6-13H,5,14H2,1-4H3,(H,25,27)
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n/an/a 119n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178463
PNG
(CHEMBL201958 | N-(3-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(OC)c3)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-21-12-10-20(11-13-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-8-7-9-22(14-19)30-5/h7-14H,6,15H2,1-5H3,(H,26,28)
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n/an/a 239n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178486
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-y...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4cccnc34)c2c1C
Show InChI InChI=1S/C27H27N5O/c1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-27(25(24)19(32)4)29-16-21-9-6-8-20-10-7-15-28-26(20)21/h6-15H,5,16H2,1-4H3,(H,29,31)
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178481
PNG
(CHEMBL202603 | N-(4-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178487
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-4-yl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccncc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-8-6-19(7-9-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-10-12-24-13-11-18/h6-13H,5,14H2,1-4H3,(H,25,27)
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178484
PNG
(6-(4-ethoxyphenyl)-N-isopropyl-4,5,7-trimethyl-6H-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC(C)C)c2c1C
Show InChI InChI=1S/C20H26N4O/c1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h8-12H,7H2,1-6H3,(H,21,23)
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178489
PNG
(CHEMBL202224 | N-(2-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccccc3OC)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5/h7-14H,6,15H2,1-5H3,(H,26,28)
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n/an/a 76n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178480
PNG
(CHEMBL201824 | N-(3-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair