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PubMed code 10476886

Compile data set for download or QSAR
Found 14 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-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080305
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(3,3-dimethyl-...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCCC(C)(C)C)cc1
Show InChI InChI=1S/C35H61N5O2/c1-27(2)16-25-40(30-14-12-29(13-15-30)36-20-19-35(5,6)7)31-17-23-38(24-18-31)33(41)32(26-28(3)4)37-34(42)39-21-10-8-9-11-22-39/h12-15,27-28,31-32,36H,8-11,16-26H2,1-7H3,(H,37,42)/t32-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080309
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-benzyloxy-phen...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H54N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-17,28-29,32,34H,5-6,10-11,18-27H2,1-4H3,(H,37,42)/t34-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080308
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(cyclohexylmet...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCC2CCCCC2)cc1
Show InChI InChI=1S/C36H61N5O2/c1-28(2)18-25-41(32-16-14-31(15-17-32)37-27-30-12-8-7-9-13-30)33-19-23-39(24-20-33)35(42)34(26-29(3)4)38-36(43)40-21-10-5-6-11-22-40/h14-17,28-30,33-34,37H,5-13,18-27H2,1-4H3,(H,38,43)/t34-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080314
PNG
(Azepane-1-carboxylic acid ((S)-1-{4-[(4-benzyloxy-...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C36H52N4O3/c1-28(2)18-25-40(31-14-16-33(17-15-31)43-27-30-12-8-7-9-13-30)32-19-23-38(24-20-32)35(41)34(26-29(3)4)37-36(42)39-21-10-5-6-11-22-39/h7-9,12-18,29,32,34H,5-6,10-11,19-27H2,1-4H3,(H,37,42)/t34-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080317
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-benzylamino-ph...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C36H55N5O2/c1-28(2)18-25-41(32-16-14-31(15-17-32)37-27-30-12-8-7-9-13-30)33-19-23-39(24-20-33)35(42)34(26-29(3)4)38-36(43)40-21-10-5-6-11-22-40/h7-9,12-17,28-29,33-34,37H,5-6,10-11,18-27H2,1-4H3,(H,38,43)/t34-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080316
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(4-dimethylami...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C38H60N6O2/c1-29(2)19-26-44(34-17-13-32(14-18-34)39-28-31-11-15-33(16-12-31)41(5)6)35-20-24-42(25-21-35)37(45)36(27-30(3)4)40-38(46)43-22-9-7-8-10-23-43/h11-18,29-30,35-36,39H,7-10,19-28H2,1-6H3,(H,40,46)/t36-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080304
PNG
(Azepane-1-carboxylic acid (3-methyl-1-{4-[(3-methy...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C37H54N4O2/c1-29(2)20-27-41(33-18-16-32(17-19-33)15-14-31-12-8-7-9-13-31)34-21-25-39(26-22-34)36(42)35(28-30(3)4)38-37(43)40-23-10-5-6-11-24-40/h7-9,12-13,16-20,30,34-35H,5-6,10-11,14-15,21-28H2,1-4H3,(H,38,43)/t35-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080313
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(4-hydroxy-ben...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C36H55N5O3/c1-27(2)17-24-41(31-13-11-30(12-14-31)37-26-29-9-15-33(42)16-10-29)32-18-22-39(23-19-32)35(43)34(25-28(3)4)38-36(44)40-20-7-5-6-8-21-40/h9-16,27-28,32,34,37,42H,5-8,17-26H2,1-4H3,(H,38,44)/t34-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080306
PNG
(Azepane-1-carboxylic acid (3-methyl-1-{4-[(3-methy...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1
Show InChI InChI=1S/C29H46N4O2/c1-23(2)14-21-33(25-12-8-7-9-13-25)26-15-19-31(20-16-26)28(34)27(22-24(3)4)30-29(35)32-17-10-5-6-11-18-32/h7-9,12-14,24,26-27H,5-6,10-11,15-22H2,1-4H3,(H,30,35)/t27-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080310
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-hydroxy-phenyl...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(O)cc1
Show InChI InChI=1S/C29H48N4O3/c1-22(2)13-20-33(24-9-11-26(34)12-10-24)25-14-18-31(19-15-25)28(35)27(21-23(3)4)30-29(36)32-16-7-5-6-8-17-32/h9-12,22-23,25,27,34H,5-8,13-21H2,1-4H3,(H,30,36)/t27-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080312
PNG
(Azepane-1-carboxylic acid {3-methyl-1-[4-((3-methy...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2ccccn2)cc1
Show InChI InChI=1S/C35H54N6O2/c1-27(2)16-24-41(31-14-12-29(13-15-31)37-26-30-11-7-8-19-36-30)32-17-22-39(23-18-32)34(42)33(25-28(3)4)38-35(43)40-20-9-5-6-10-21-40/h7-8,11-15,19,27-28,32-33,37H,5-6,9-10,16-18,20-26H2,1-4H3,(H,38,43)/t33-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080315
PNG
(Azepane-1-carboxylic acid (1-{4-[[4-(3-hydroxy-but...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCCC(C)O)cc1
Show InChI InChI=1S/C33H57N5O3/c1-25(2)15-23-38(29-12-10-28(11-13-29)34-18-14-27(5)39)30-16-21-36(22-17-30)32(40)31(24-26(3)4)35-33(41)37-19-8-6-7-9-20-37/h10-13,25-27,30-31,34,39H,6-9,14-24H2,1-5H3,(H,35,41)/t27?,31-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080307
PNG
(Azepane-1-carboxylic acid (1-{4-[(4-amino-phenyl)-...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C29H49N5O2/c1-22(2)13-20-34(25-11-9-24(30)10-12-25)26-14-18-32(19-15-26)28(35)27(21-23(3)4)31-29(36)33-16-7-5-6-8-17-33/h9-12,22-23,26-27H,5-8,13-21,30H2,1-4H3,(H,31,36)/t27-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50080311
PNG
(Azepane-1-carboxylic acid (1-{4-[{4-[(1H-imidazol-...)
Show SMILES CC(C)CCN(C1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)N1CCCCCC1)c1ccc(NCc2cnc[nH]2)cc1
Show InChI InChI=1S/C33H53N7O2/c1-25(2)13-20-40(29-11-9-27(10-12-29)35-23-28-22-34-24-36-28)30-14-18-38(19-15-30)32(41)31(21-26(3)4)37-33(42)39-16-7-5-6-8-17-39/h9-12,22,24-26,30-31,35H,5-8,13-21,23H2,1-4H3,(H,34,36)(H,37,42)/t31-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Inhibition of N-type Voltage Sensitive Calcium Channel (VSCC) using IMR-32 assay

Bioorg Med Chem Lett 9: 2453-8 (1999)


BindingDB Entry DOI: 10.7270/Q29K49FB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%