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Compile Data Set for Download or QSAR

Found 951 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B'   
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 calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247254
PNG
(US9447029, 1-7)
Show SMILES CN(C)C(=O)CNCC(F)(F)c1cccc(OCCCC(F)(F)F)c1
Show InChI InChI=1S/C16H21F5N2O2/c1-23(2)14(24)10-22-11-15(17,18)12-5-3-6-13(9-12)25-8-4-7-16(19,20)21/h3,5-6,9,22H,4,7-8,10-11H2,1-2H3
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100n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247253
PNG
(US9447029, 1-6)
Show SMILES CCCCCCOc1cccc(c1)C(F)(F)CNCC(=O)N(C)C
Show InChI InChI=1S/C18H28F2N2O2/c1-4-5-6-7-11-24-16-10-8-9-15(12-16)18(19,20)14-21-13-17(23)22(2)3/h8-10,12,21H,4-7,11,13-14H2,1-3H3
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100n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247250
PNG
(US9447029, 1-1)
Show SMILES CCCCOc1cccc(c1)C(F)(F)CNCC(=O)N(C)C
Show InChI InChI=1S/C16H24F2N2O2/c1-4-5-9-22-14-8-6-7-13(10-14)16(17,18)12-19-11-15(21)20(2)3/h6-8,10,19H,4-5,9,11-12H2,1-3H3
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100n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247256
PNG
(US9447029, 1-15)
Show SMILES CCCCOc1cccc(c1)C(F)(F)CNCC(=O)N1CCCC1
Show InChI InChI=1S/C18H26F2N2O2/c1-2-3-11-24-16-8-6-7-15(12-16)18(19,20)14-21-13-17(23)22-9-4-5-10-22/h6-8,12,21H,2-5,9-11,13-14H2,1H3
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200n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247257
PNG
(US9447029, 1-18)
Show SMILES FC(F)(F)CCCOc1cccc(c1)C(F)(F)CNCC(=O)N1CCCC1
Show InChI InChI=1S/C18H23F5N2O2/c19-17(20,13-24-12-16(26)25-8-1-2-9-25)14-5-3-6-15(11-14)27-10-4-7-18(21,22)23/h3,5-6,11,24H,1-2,4,7-10,12-13H2
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200n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247260
PNG
(US9447029, 1-32)
Show SMILES CCCCOc1cccc(c1)C(F)(F)CNCC(=O)N(CC)CC
Show InChI InChI=1S/C18H28F2N2O2/c1-4-7-11-24-16-10-8-9-15(12-16)18(19,20)14-21-13-17(23)22(5-2)6-3/h8-10,12,21H,4-7,11,13-14H2,1-3H3
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300n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247255
PNG
(US9447029, 1-14)
Show SMILES CN(C)C(=O)CNCC(F)(F)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C19H22F2N2O2/c1-23(2)18(24)12-22-14-19(20,21)16-9-6-10-17(11-16)25-13-15-7-4-3-5-8-15/h3-11,22H,12-14H2,1-2H3
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500n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247259
PNG
(US9447029, 1-29)
Show SMILES CCCCOc1cccc(c1)C(F)(F)CNCC(=O)N1CCCCC1
Show InChI InChI=1S/C19H28F2N2O2/c1-2-3-12-25-17-9-7-8-16(13-17)19(20,21)15-22-14-18(24)23-10-5-4-6-11-23/h7-9,13,22H,2-6,10-12,14-15H2,1H3
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700n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 27: 699-711 (2002)


Article DOI: 10.1016/S0893-133X(02)00346-9
BindingDB Entry DOI: 10.7270/Q2GQ6W98
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)


Article DOI: 10.1016/S0893-133X(01)00298-6
BindingDB Entry DOI: 10.7270/Q25M648W
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247264
PNG
(US9447029, 4-1)
Show SMILES CCCCOc1cccc(c1)C(F)CNCC(=O)N(C)C
Show InChI InChI=1/C16H25FN2O2/c1-4-5-9-21-14-8-6-7-13(10-14)15(17)11-18-12-16(20)19(2)3/h6-8,10,15,18H,4-5,9,11-12H2,1-3H3
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1.10E+3n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM247263
PNG
(US9447029, 3-3)
Show SMILES CCCCOc1cccc(c1)C(F)(F)CN(CCOC)CC(=O)N(C)C
Show InChI InChI=1S/C19H30F2N2O3/c1-5-6-11-26-17-9-7-8-16(13-17)19(20,21)15-23(10-12-25-4)14-18(24)22(2)3/h7-9,13H,5-6,10-12,14-15H2,1-4H3
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1.70E+3n/an/an/an/an/an/an/an/a



NEWRON PHARMACEUTICALS S.P.A.

US Patent


Assay Description
Cells and methods: Functional inhibition of the sodium currents is studied using whole cell patch clamp methods (Hamill O. P., Marty A., Neher E., Sa...


US Patent US9447029 (2016)


BindingDB Entry DOI: 10.7270/Q26T0KJZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50187673
PNG
(5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxyl...)
Show SMILES COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
Show InChI InChI=1S/C30H39N5O6/c1-19-17-20-9-10-30(2,3)21(20)18-23(19)41-24-8-7-22(40-24)26(36)32-25-27(37-4)33-29(34-28(25)38-5)31-11-6-12-35-13-15-39-16-14-35/h7-8,17-18H,6,9-16H2,1-5H3,(H,32,36)(H,31,33,34)
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5.24E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to verapamil site of N type calcium channel


J Med Chem 49: 3362-7 (2006)


Article DOI: 10.1021/jm060012g
BindingDB Entry DOI: 10.7270/Q2F76C54
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


Article DOI: 10.1021/acschembio.5b00817
BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 310-8 (1994)


BindingDB Entry DOI: 10.7270/Q2HH6HKJ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)


Article DOI: 10.1124/jpet.102.045674
BindingDB Entry DOI: 10.7270/Q2TX3CX5
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399552
PNG
(CHEMBL1651027)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-4-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-4-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-3=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 4 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50080037
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(4-tert-butyl-benzyl...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C38H51N3O4/c1-26(2)23-33(41(9)25-28-15-19-30(20-16-28)37(3,4)5)35(43)39-32(34(42)40-38(6,7)8)24-27-17-21-31(22-18-27)45-36(44)29-13-11-10-12-14-29/h10-22,26,32-33H,23-25H2,1-9H3,(H,39,43)(H,40,42)/t32-,33-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399552
PNG
(CHEMBL1651027)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-4-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-4-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-3=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50078723
PNG
((S)-2-[(4-tert-Butyl-benzyl)-methyl-amino]-4-methy...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...


Bioorg Med Chem Lett 9: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2KD1X3X
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
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n/an/a 40.7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399551
PNG
(CHEMBL2180892)
Show SMILES COc1cccc(OC)c1CN1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N2O4S/c1-32-22-7-4-8-23(33-2)21(22)16-28-13-11-19(12-14-28)29(18-9-10-18)34(30,31)20-6-3-5-17(15-20)24(25,26)27/h3-8,15,18-19H,9-14,16H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50078730
PNG
((S)-2-[(4-tert-Butyl-benzyl)-methyl-amino]-4-methy...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C39H53N3O3/c1-29(2)25-36(41(6)27-31-15-19-33(20-16-31)39(3,4)5)37(43)40-35(38(44)42-23-11-8-12-24-42)26-30-17-21-34(22-18-30)45-28-32-13-9-7-10-14-32/h7,9-10,13-22,29,35-36H,8,11-12,23-28H2,1-6H3,(H,40,43)/t35-,36-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...


Bioorg Med Chem Lett 9: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2KD1X3X
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50111944
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H37N3O5S2/c1-36-29(35)32-20-39-19-26(32)28(34)31-25(18-38-17-22-8-4-2-5-9-22)27(33)30-16-21-12-14-24(15-13-21)37-23-10-6-3-7-11-23/h3,6-7,10-15,22,25-26H,2,4-5,8-9,16-20H2,1H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells.


Bioorg Med Chem Lett 12: 915-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D50M83
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399541
PNG
(CHEMBL2180891)
Show SMILES CCCN(C1CCN(Cc2c(OC)cccc2OC)CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N2O4S/c1-4-13-29(34(30,31)20-8-5-7-18(16-20)24(25,26)27)19-11-14-28(15-12-19)17-21-22(32-2)9-6-10-23(21)33-3/h5-10,16,19H,4,11-15,17H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399550
PNG
(CHEMBL2180894)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F6N2O4S/c24-22(25,26)15-4-3-5-18(14-15)36(33,34)31(16-8-9-16)17-10-12-30(13-11-17)21(32)19-6-1-2-7-20(19)35-23(27,28)29/h1-7,14,16-17H,8-13H2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50111936
PNG
((R)-3-(2-Methoxy-acetyl)-thiazolidine-4-carboxylic...)
Show SMILES COCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H39N3O5S2/c1-37-17-28(34)33-21-40-20-27(33)30(36)32-26(19-39-18-23-8-4-2-5-9-23)29(35)31-16-22-12-14-25(15-13-22)38-24-10-6-3-7-11-24/h3,6-7,10-15,23,26-27H,2,4-5,8-9,16-21H2,1H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells.


Bioorg Med Chem Lett 12: 915-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D50M83
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50080046
PNG
(Benzoic acid 4-((S)-2-{(S)-2-[(4-bromo-benzyl)-met...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H42BrN3O4/c1-23(2)20-30(38(6)22-25-12-16-27(35)17-13-25)32(40)36-29(31(39)37-34(3,4)5)21-24-14-18-28(19-15-24)42-33(41)26-10-8-7-9-11-26/h7-19,23,29-30H,20-22H2,1-6H3,(H,36,40)(H,37,39)/t29-,30-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50111940
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C32H43N3O5S2/c1-32(2,3)40-31(38)35-22-42-21-28(35)30(37)34-27(20-41-19-24-10-6-4-7-11-24)29(36)33-18-23-14-16-26(17-15-23)39-25-12-8-5-9-13-25/h5,8-9,12-17,24,27-28H,4,6-7,10-11,18-22H2,1-3H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells.


Bioorg Med Chem Lett 12: 915-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D50M83
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50111940
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy...)
Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C32H43N3O5S2/c1-32(2,3)40-31(38)35-22-42-21-28(35)30(37)34-27(20-41-19-24-10-6-4-7-11-24)29(36)33-18-23-14-16-26(17-15-23)39-25-12-8-5-9-13-25/h5,8-9,12-17,24,27-28H,4,6-7,10-11,18-22H2,1-3H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 12: 2267-9 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N60
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50116658
PNG
((R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(1-phenyl-...)
Show SMILES CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C30H46N4O4S2/c1-30(2,3)38-29(37)34-21-40-20-26(34)28(36)32-25(19-39-18-22-10-6-4-7-11-22)27(35)31-23-14-16-33(17-15-23)24-12-8-5-9-13-24/h5,8-9,12-13,22-23,25-26H,4,6-7,10-11,14-21H2,1-3H3,(H,31,35)(H,32,36)/t25-,26-/m0/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channel influx in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 12: 2267-9 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N60
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(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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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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50333703
PNG
(CHEMBL1643724 | N-tert-butyl-2-(1-(2-(tert-butylam...)
Show SMILES Cc1cc(C)cc(c1)-c1cc2cc(ccc2n1CC(=O)NC(C)(C)C)C(C)(C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H41N3O2/c1-19-13-20(2)15-21(14-19)25-17-22-16-23(30(9,10)27(35)32-29(6,7)8)11-12-24(22)33(25)18-26(34)31-28(3,4)5/h11-17H,18H2,1-10H3,(H,31,34)(H,32,35)
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of Cav2.2 channel by fluorescent calcium-influx assay


Bioorg Med Chem Lett 21: 869-73 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.067
BindingDB Entry DOI: 10.7270/Q2B27VJK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(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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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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50076117
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H47N3O4/c1-23(2)21-29(36(6)26-15-11-8-12-16-26)31(38)34-28(30(37)35-33(3,4)5)22-24-17-19-27(20-18-24)40-32(39)25-13-9-7-10-14-25/h7,9-10,13-14,17-20,23,26,28-29H,8,11-12,15-16,21-22H2,1-6H3,(H,34,38)(H,35,37)/t28-,29-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50078727
PNG
((S)-2-(Cyclohexyl-methyl-amino)-4-methyl-pentanoic...)
Show SMILES CC(C)C[C@H](N(C)C1CCCCC1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49N3O3/c1-24(2)21-30(36(6)27-15-11-8-12-16-27)32(38)34-29(31(37)35-33(3,4)5)22-25-17-19-28(20-18-25)39-23-26-13-9-7-10-14-26/h7,9-10,13-14,17-20,24,27,29-30H,8,11-12,15-16,21-23H2,1-6H3,(H,34,38)(H,35,37)/t29-,30-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...


Bioorg Med Chem Lett 9: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2KD1X3X
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50111945
PNG
((R)-3-(2-Methoxy-ethyl)-thiazolidine-4-carboxylic ...)
Show SMILES COCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H41N3O4S2/c1-36-17-16-33-22-39-21-28(33)30(35)32-27(20-38-19-24-8-4-2-5-9-24)29(34)31-18-23-12-14-26(15-13-23)37-25-10-6-3-7-11-25/h3,6-7,10-15,24,27-28H,2,4-5,8-9,16-22H2,1H3,(H,31,34)(H,32,35)/t27-,28-/m0/s1
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Minase Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of N-type calcium channels in IMR-32 cells.


Bioorg Med Chem Lett 12: 915-8 (2002)


BindingDB Entry DOI: 10.7270/Q2D50M83
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50199822
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-sec-butylthiaz...)
Show SMILES CCC(C)N1C(SCC1=O)c1cnccc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2OS/c1-3-12(2)21-17(22)11-23-18(21)16-10-20-9-8-15(16)13-4-6-14(19)7-5-13/h4-10,12,18H,3,11H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61668
PNG
((6Z)-7-azanylidene-6-[[3-methoxy-4-[2-(2-methoxyph...)
Show SMILES COc1ccccc1OCCOc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1OC |w:16.16|
Show InChI InChI=1S/C24H23N3O6/c1-15-12-22-26-24(28)17(23(25)27(22)33-15)13-16-8-9-20(21(14-16)30-3)32-11-10-31-19-7-5-4-6-18(19)29-2/h4-9,12-14,25H,1,10-11H2,2-3H3,(H,26,28)/b17-13-,25-23?
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n/an/a 212n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM54718
PNG
(2-(Cyclopentyl-{2-[5-(5-methyl-furan-2-yl)-tetrazo...)
Show SMILES CCCC(N(C1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)o1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H34N6O3/c1-3-8-19(23(31)24-17-9-4-5-10-17)29(18-11-6-7-12-18)21(30)15-28-26-22(25-27-28)20-14-13-16(2)32-20/h13-14,17-19H,3-12,15H2,1-2H3,(H,24,31)
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n/an/a 221n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50080035
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H42ClN3O4/c1-23(2)20-30(38(6)22-25-12-16-27(35)17-13-25)32(40)36-29(31(39)37-34(3,4)5)21-24-14-18-28(19-15-24)42-33(41)26-10-8-7-9-11-26/h7-19,23,29-30H,20-22H2,1-6H3,(H,36,40)(H,37,39)/t29-,30-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50399546
PNG
(CHEMBL2180898)
Show SMILES CN(C)c1cccc(c1)C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H28F3N3O3S/c1-28(2)21-7-3-5-17(15-21)23(31)29-13-11-20(12-14-29)30(19-9-10-19)34(32,33)22-8-4-6-18(16-22)24(25,26)27/h3-8,15-16,19-20H,9-14H2,1-2H3
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n/an/a 240n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 expressed HEK293 cells assessed as inhibition of calcium flux by FLIPR assay in presence of 30 mM of potassium


J Med Chem 55: 9847-55 (2012)


Article DOI: 10.1021/jm301056k
BindingDB Entry DOI: 10.7270/Q26W9C7J
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50081687
PNG
(Azepane-1-carboxylic acid ((S)-1-{2-[(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]C([#6])([#6])[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C35H52N4O3/c1-27(2)20-23-39(30-16-18-31(19-17-30)42-25-29-14-10-9-11-15-29)26-35(5,6)37-33(40)32(24-28(3)4)36-34(41)38-21-12-7-8-13-22-38/h9-11,14-20,28,32H,7-8,12-13,21-26H2,1-6H3,(H,36,41)(H,37,40)/t32-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR32 human neuroblastoma cells


J Med Chem 42: 4239-49 (1999)


BindingDB Entry DOI: 10.7270/Q2QF8S22
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50078724
PNG
((S)-2-[(4-tert-Butyl-benzyl)-methyl-amino]-4-methy...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C46H60N4O3/c1-34(2)29-43(49(6)31-37-17-21-39(22-18-37)46(3,4)5)45(52)48-42(30-35-19-23-41(24-20-35)53-33-38-15-11-8-12-16-38)44(51)47-40-25-27-50(28-26-40)32-36-13-9-7-10-14-36/h7-24,34,40,42-43H,25-33H2,1-6H3,(H,47,51)(H,48,52)/t42-,43-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro antagonism of N-type voltage sensitive calcium channel in IMR-32 assay using fluorescent [Ca2+] indicator Indo-11 in the presence of 5 micro...


Bioorg Med Chem Lett 9: 1813-8 (1999)


BindingDB Entry DOI: 10.7270/Q2KD1X3X
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50076108
PNG
(Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2...)
Show SMILES CCCCN(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/C31H45N3O4/c1-8-9-19-34(7)27(20-22(2)3)29(36)32-26(28(35)33-31(4,5)6)21-23-15-17-25(18-16-23)38-30(37)24-13-11-10-12-14-24/h10-18,22,26-27H,8-9,19-21H2,1-7H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against N-type calcium channel in the IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 907-12 (1999)


BindingDB Entry DOI: 10.7270/Q2D799MZ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50080041
PNG
(Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2...)
Show SMILES CC(C)C[C@H](N(C)Cc1ccc(cc1)N(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C36H48N4O4/c1-25(2)22-32(40(8)24-27-14-18-29(19-15-27)39(6)7)34(42)37-31(33(41)38-36(3,4)5)23-26-16-20-30(21-17-26)44-35(43)28-12-10-9-11-13-28/h9-21,25,31-32H,22-24H2,1-8H3,(H,37,42)(H,38,41)/t31-,32-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 280n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells


Bioorg Med Chem Lett 9: 2151-6 (1999)


BindingDB Entry DOI: 10.7270/Q2H70F02
More data for this
Ligand-Target Pair
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