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PubMed code 10328297

Compile data set for download or QSAR
Found 13 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))		BDBM50076845
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-4...)
Show SMILES CC(C)CCN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N3O4/c1-21(2)17-18-32-26(19-22(3)4)28(35)33-27(29(36)34-31(5,6)7)20-23-13-15-25(16-14-23)38-30(37)24-11-9-8-10-12-24/h8-16,21-22,26-27,32H,17-20H2,1-7H3,(H,33,35)(H,34,36)/t26-,27-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076838
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[6-me...)
Show SMILES CC(C)CCN1C(C)CCCC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H44N2O5/c1-22(2)19-20-34-23(3)11-10-14-28(34)29(35)33-27(31(37)39-32(4,5)6)21-24-15-17-26(18-16-24)38-30(36)25-12-8-7-9-13-25/h7-9,12-13,15-18,22-23,27-28H,10-11,14,19-21H2,1-6H3,(H,33,35)/t23?,27-,28?/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076112
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4...)
Show SMILES CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H47N3O4/c1-22(2)18-19-35(8)28(20-23(3)4)30(37)33-27(29(36)34-32(5,6)7)21-24-14-16-26(17-15-24)39-31(38)25-12-10-9-11-13-25/h9-17,22-23,27-28H,18-21H2,1-8H3,(H,33,37)(H,34,36)/t27-,28-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076849
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(R)-4...)
Show SMILES CC(C)CCN(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H47N3O4/c1-22(2)18-19-35(8)28(20-23(3)4)30(37)33-27(29(36)34-32(5,6)7)21-24-14-16-26(17-15-24)39-31(38)25-12-10-9-11-13-25/h9-17,22-23,27-28H,18-21H2,1-8H3,(H,33,37)(H,34,36)/t27-,28+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076841
PNG
(Benzoic acid 4-{(S)-2-tert-butoxycarbonyl-2-[(S)-4...)
Show SMILES CC(C)CCN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H44N2O5/c1-21(2)17-18-32-26(19-22(3)4)28(34)33-27(30(36)38-31(5,6)7)20-23-13-15-25(16-14-23)37-29(35)24-11-9-8-10-12-24/h8-16,21-22,26-27,32H,17-20H2,1-7H3,(H,33,34)/t26-,27-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076846
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[4-is...)
Show SMILES CC(C)CCN1CCC(CC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C34H48N2O5/c1-23(2)17-19-36-20-18-27(24(3)4)22-30(36)31(37)35-29(33(39)41-34(5,6)7)21-25-13-15-28(16-14-25)40-32(38)26-11-9-8-10-12-26/h8-16,23-24,27,29-30H,17-22H2,1-7H3,(H,35,37)/t27?,29-,30?/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076842
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[4-me...)
Show SMILES CC(C)CCN1CCC(C)CC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H44N2O5/c1-22(2)16-18-34-19-17-23(3)20-28(34)29(35)33-27(31(37)39-32(4,5)6)21-24-12-14-26(15-13-24)38-30(36)25-10-8-7-9-11-25/h7-15,22-23,27-28H,16-21H2,1-6H3,(H,33,35)/t23?,27-,28?/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076847
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-3...)
Show SMILES CC(C)CCN(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N3O4/c1-21(2)18-19-34(8)27(22(3)4)29(36)32-26(28(35)33-31(5,6)7)20-23-14-16-25(17-15-23)38-30(37)24-12-10-9-11-13-24/h9-17,21-22,26-27H,18-20H2,1-8H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076840
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[1-(3...)
Show SMILES CC(C)CCN1CCCCC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H42N2O5/c1-22(2)18-20-33-19-10-9-13-27(33)28(34)32-26(30(36)38-31(3,4)5)21-23-14-16-25(17-15-23)37-29(35)24-11-7-6-8-12-24/h6-8,11-12,14-17,22,26-27H,9-10,13,18-21H2,1-5H3,(H,32,34)/t26-,27?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076839
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[4-me...)
Show SMILES CC(C)CCN1CCN(C)CC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H43N3O5/c1-22(2)16-17-34-19-18-33(6)21-27(34)28(35)32-26(30(37)39-31(3,4)5)20-23-12-14-25(15-13-23)38-29(36)24-10-8-7-9-11-24/h7-15,22,26-27H,16-21H2,1-6H3,(H,32,35)/t26-,27?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076844
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[3-me...)
Show SMILES CC(C)CCN1CCCC(C)C1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H44N2O5/c1-22(2)18-20-34-19-10-11-23(3)28(34)29(35)33-27(31(37)39-32(4,5)6)21-24-14-16-26(17-15-24)38-30(36)25-12-8-7-9-13-25/h7-9,12-17,22-23,27-28H,10-11,18-21H2,1-6H3,(H,33,35)/t23?,27-,28?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076848
PNG
(Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[1-(3...)
Show SMILES CC(C)CCN1CCC(CC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H42N2O5/c1-22(2)15-18-33-19-16-24(17-20-33)28(34)32-27(30(36)38-31(3,4)5)21-23-11-13-26(14-12-23)37-29(35)25-9-7-6-8-10-25/h6-14,22,24,27H,15-21H2,1-5H3,(H,32,34)/t27-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50076843
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{2-[me...)
Show SMILES CC(C)CCN(C)CC(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C28H39N3O4/c1-20(2)16-17-31(6)19-25(32)29-24(26(33)30-28(3,4)5)18-21-12-14-23(15-13-21)35-27(34)22-10-8-7-9-11-22/h7-15,20,24H,16-19H2,1-6H3,(H,29,32)(H,30,33)/t24-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro N-type [Ca2+] channel blocking potency in IMR-32 human neuroblastoma cells

Bioorg Med Chem Lett 9: 1121-6 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3D65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%