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Compile Data Set for Download or QSAR

Found 2726 hits Enz. Inhib. hit(s) with Target = 'Calcium channel'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium channel


(RAT)
BDBM50283421
PNG
(((E)-Azacyclotridec-1-en-2-yl)-(2,2-diphenyl-penty...)
Show SMILES CCCC(CNC1=NCCCCCCCCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H42N2/c1-2-23-29(26-18-12-10-13-19-26,27-20-14-11-15-21-27)25-31-28-22-16-8-6-4-3-5-7-9-17-24-30-28/h10-15,18-21H,2-9,16-17,22-25H2,1H3,(H,30,31)
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n/an/an/an/a 34n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes


Bioorg Med Chem Lett 4: 351-354 (1994)


Article DOI: 10.1016/S0960-894X(01)80143-8
BindingDB Entry DOI: 10.7270/Q2R78F5H
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50283420
PNG
(((E)-Azacyclotridec-1-en-2-yl)-((1S,2S)-2-phenyl-c...)
Show SMILES C1C[C@H](N=C2CCCCCCCCCCCN2)[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21-,22-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)


Article DOI: 10.1016/S0960-894X(01)80143-8
BindingDB Entry DOI: 10.7270/Q2R78F5H
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283420
PNG
(((E)-Azacyclotridec-1-en-2-yl)-((1S,2S)-2-phenyl-c...)
Show SMILES C1C[C@H](N=C2CCCCCCCCCCCN2)[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21-,22-/m0/s1
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n/an/an/an/a 61n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes


Bioorg Med Chem Lett 4: 351-354 (1994)


Article DOI: 10.1016/S0960-894X(01)80143-8
BindingDB Entry DOI: 10.7270/Q2R78F5H
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295697
PNG
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)
Show SMILES NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1
Show InChI InChI=1S/C34H36N6O5S/c35-17-3-19-44-30-6-2-1-5-28(30)32(42)40(22-23-7-11-25(12-8-23)43-20-4-18-38-33(36)37)34-39-29-16-15-27(21-31(29)46-34)45-26-13-9-24(41)10-14-26/h1-2,5-16,21,41H,3-4,17-20,22,35H2,(H4,36,37,38)
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n/an/an/an/a 1.78E+3n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295696
PNG
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)
Show SMILES NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C34H36N6O4S/c35-18-6-20-43-30-11-5-4-10-28(30)32(41)40(23-24-12-14-25(15-13-24)42-21-7-19-38-33(36)37)34-39-29-17-16-27(22-31(29)45-34)44-26-8-2-1-3-9-26/h1-5,8-17,22H,6-7,18-21,23,35H2,(H4,36,37,38)
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n/an/an/an/a 3.08E+3n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295695
PNG
(2-(3-aminopropoxy)-N-(4-(3-aminopropoxy)benzyl)-N-...)
Show SMILES NCCCOc1ccc(CN(C(=O)c2ccccc2OCCCN)c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1
Show InChI InChI=1S/C33H34N4O5S/c34-17-3-19-40-25-11-7-23(8-12-25)22-37(32(39)28-5-1-2-6-30(28)41-20-4-18-35)33-36-29-16-15-27(21-31(29)43-33)42-26-13-9-24(38)10-14-26/h1-2,5-16,21,38H,3-4,17-20,22,34-35H2
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n/an/an/an/a 3.18E+3n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463220
PNG
(CHEMBL4243120)
Show SMILES C[C@H]1CCC(=C)\C(=C/C=C\C[C@]1(C)CCC1=CC(O)OC1=O)C(O)=O
Show InChI InChI=1S/C20H26O5/c1-13-7-8-14(2)20(3,10-5-4-6-16(13)18(22)23)11-9-15-12-17(21)25-19(15)24/h4-6,12,14,17,21H,1,7-11H2,2-3H3,(H,22,23)/b5-4-,16-6+/t14-,17?,20+/m0/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295695
PNG
(2-(3-aminopropoxy)-N-(4-(3-aminopropoxy)benzyl)-N-...)
Show SMILES NCCCOc1ccc(CN(C(=O)c2ccccc2OCCCN)c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1
Show InChI InChI=1S/C33H34N4O5S/c34-17-3-19-40-25-11-7-23(8-12-25)22-37(32(39)28-5-1-2-6-30(28)41-20-4-18-35)33-36-29-16-15-27(21-31(29)43-33)42-26-13-9-24(38)10-14-26/h1-2,5-16,21,38H,3-4,17-20,22,34-35H2
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n/an/an/an/a 5.40E+3n/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from rat brain membrane Cav2.2 after 1 hr by gamma counting method


Bioorg Med Chem 26: 3046-3059 (2018)


Article DOI: 10.1016/j.bmc.2018.03.031
BindingDB Entry DOI: 10.7270/Q2BC4253
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295697
PNG
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)
Show SMILES NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1
Show InChI InChI=1S/C34H36N6O5S/c35-17-3-19-44-30-6-2-1-5-28(30)32(42)40(22-23-7-11-25(12-8-23)43-20-4-18-38-33(36)37)34-39-29-16-15-27(21-31(29)46-34)45-26-13-9-24(41)10-14-26/h1-2,5-16,21,41H,3-4,17-20,22,35H2,(H4,36,37,38)
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n/an/an/an/a 5.70E+3n/an/an/an/a



IITB-Monash Research Academy

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from rat brain membrane Cav2.2 after 1 hr by gamma counting method


Bioorg Med Chem 26: 3046-3059 (2018)


Article DOI: 10.1016/j.bmc.2018.03.031
BindingDB Entry DOI: 10.7270/Q2BC4253
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295701
PNG
(CHEMBL565078 | N-(3-{4-[(6-Phenoxy-benzothiazol-2-...)
Show SMILES NC(N)=NCCCOc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1
Show InChI InChI=1S/C24H25N5O2S/c25-23(26)27-13-4-14-30-18-9-7-17(8-10-18)16-28-24-29-21-12-11-20(15-22(21)32-24)31-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16H2,(H,28,29)(H4,25,26,27)
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n/an/an/an/a 5.80E+3n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304189
PNG
(CHEMBL593380 | N-(4-(4-Fluorophenoxy)phenyl)-2-(8-...)
Show SMILES NC(N)=NCCCCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C32H41FN8O4/c33-22-8-12-24(13-9-22)45-25-14-10-23(11-15-25)40-30(43)27-21-26(44-20-6-19-39-32(36)37)16-17-28(27)41-29(42)7-4-2-1-3-5-18-38-31(34)35/h8-17,21H,1-7,18-20H2,(H,40,43)(H,41,42)(H4,34,35,38)(H4,36,37,39)
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n/an/an/an/a 6.00E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400564
PNG
(CHEMBL2206242)
Show SMILES CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12
Show InChI InChI=1S/C18H26N6OS/c1-4-8-24-11-20-15-16(19-9-14-7-6-12(3)26-14)22-18(23-17(15)24)21-13(5-2)10-25/h6-7,11,13,25H,4-5,8-10H2,1-3H3,(H2,19,21,22,23)/t13-/m1/s1
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PubMed
n/an/an/an/a 7.21E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463216
PNG
(CHEMBL4251191)
Show SMILES C[C@H]1CC[C@]2(C)[C@@H](CCC=C2C(O)=O)[C@]1(C)CCC1=CCOC1=O
Show InChI InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20-/m0/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50516235
PNG
(CHEMBL4563408)
Show SMILES FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C29H24Cl2F2N8O2/c30-17-5-8-20(9-6-17)41-25(21-3-1-2-4-22(21)31)39-24-26(35-16-36-27(24)41)40-13-11-18(12-14-40)37-29(42)38-19-7-10-23(34-15-19)43-28(32)33/h1-10,15-16,18,28H,11-14H2,(H2,37,38,42)
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from rat brain Cav1.2 dihydropyridine site after 90 mins by scintillation counting analysis


J Med Chem 62: 6330-6345 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00727
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400566
PNG
(CHEMBL2206239)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H26N6OS/c1-5-13(9-25)21-18-22-16(19-8-14-7-6-12(4)26-14)15-17(23-18)24(10-20-15)11(2)3/h6-7,10-11,13,25H,5,8-9H2,1-4H3,(H2,19,21,22,23)/t13-/m1/s1
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n/an/an/an/a 1.13E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295707
PNG
(2-(3-(4-((2,2-diphenylethylamino)methyl)phenoxy)pr...)
Show SMILES NC(N)=NCCCOc1ccc(CNCC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H30N4O/c26-25(27)29-16-7-17-30-23-14-12-20(13-15-23)18-28-19-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15,24,28H,7,16-19H2,(H4,26,27,29)
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n/an/an/an/a 1.20E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463219
PNG
(CHEMBL4246908)
Show SMILES CCOC1OC(=O)C(CC[C@@]2(C)C\C=C/C=C(C(O)=O)\C(=C)CC[C@@H]2C)=C1
Show InChI InChI=1S/C22H30O5/c1-5-26-19-14-17(21(25)27-19)11-13-22(4)12-7-6-8-18(20(23)24)15(2)9-10-16(22)3/h6-8,14,16,19H,2,5,9-13H2,1,3-4H3,(H,23,24)/b7-6-,18-8+/t16-,19?,22+/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304185
PNG
(2-(5-Guanidino-octanamido)-5-(3-guanidinopropoxy)-...)
Show SMILES NC(N)=NCCCCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C32H42N8O4/c33-31(34)37-19-8-3-1-2-7-12-29(41)40-28-18-17-26(43-21-9-20-38-32(35)36)22-27(28)30(42)39-23-13-15-25(16-14-23)44-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21H2,(H,39,42)(H,40,41)(H4,33,34,37)(H4,35,36,38)
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n/an/an/an/a 1.30E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463215
PNG
(CHEMBL4246780)
Show SMILES CCOC1OC(=O)C(CC[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2C=CC=C3C(O)=O)=C1
Show InChI InChI=1S/C22H30O5/c1-5-26-18-13-15(20(25)27-18)10-12-21(3)14(2)9-11-22(4)16(19(23)24)7-6-8-17(21)22/h6-8,13-14,17-18H,5,9-12H2,1-4H3,(H,23,24)/t14-,17-,18?,21+,22-/m0/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463217
PNG
(CHEMBL4241124)
Show SMILES C[C@H]1CCC(=C)\C(=C/C=C\C[C@]1(C)CCC1=CCOC1=O)C(O)=O
Show InChI InChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,11-5-4-6-17(14)18(21)22)12-9-16-10-13-24-19(16)23/h4-6,10,15H,1,7-9,11-13H2,2-3H3,(H,21,22)/b5-4-,17-6+/t15-,20+/m0/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400565
PNG
(CHEMBL2206262)
Show SMILES CCCn1cnc2c(NCc3ccccc3)nc(N[C@H](CC)CO)nc12
Show InChI InChI=1S/C19H26N6O/c1-3-10-25-13-21-16-17(20-11-14-8-6-5-7-9-14)23-19(24-18(16)25)22-15(4-2)12-26/h5-9,13,15,26H,3-4,10-12H2,1-2H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/an/an/a 1.42E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304187
PNG
(2-(5-Guanidino-octanamido)-5-(3-guanidinobutoxy)-N...)
Show SMILES NC(N)=NCCCCCCCC(=O)Nc1ccc(OCCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C33H44N8O4/c34-32(35)38-20-8-3-1-2-7-13-30(42)41-29-19-18-27(44-22-10-9-21-39-33(36)37)23-28(29)31(43)40-24-14-16-26(17-15-24)45-25-11-5-4-6-12-25/h4-6,11-12,14-19,23H,1-3,7-10,13,20-22H2,(H,40,43)(H,41,42)(H4,34,35,38)(H4,36,37,39)
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n/an/an/an/a 1.50E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304184
PNG
(2-(5-Guanidinohexanamido)-5-(3-guanidinopropoxy)-N...)
Show SMILES NC(N)=NCCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H38N8O4/c31-29(32)35-17-6-2-5-10-27(39)38-26-16-15-24(41-19-7-18-36-30(33)34)20-25(26)28(40)37-21-11-13-23(14-12-21)42-22-8-3-1-4-9-22/h1,3-4,8-9,11-16,20H,2,5-7,10,17-19H2,(H,37,40)(H,38,39)(H4,31,32,35)(H4,33,34,36)
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n/an/an/an/a 1.60E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304188
PNG
(2-(8-Guanidinooctanamido)-5-(3-guanidinopropoxy)-N...)
Show SMILES NC(N)=NCCCCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H42N8O5/c33-31(34)37-18-5-3-1-2-4-7-29(42)40-28-17-16-26(44-20-6-19-38-32(35)36)21-27(28)30(43)39-22-8-12-24(13-9-22)45-25-14-10-23(41)11-15-25/h8-17,21,41H,1-7,18-20H2,(H,39,43)(H,40,42)(H4,33,34,37)(H4,35,36,38)
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n/an/an/an/a 1.60E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304186
PNG
(2-(5-Guanidinohexanamido)-5-(3-guanidinobutoxy)-N-...)
Show SMILES NC(N)=NCCCCCC(=O)Nc1ccc(OCCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H40N8O4/c32-30(33)36-18-6-2-5-11-28(40)39-27-17-16-25(42-20-8-7-19-37-31(34)35)21-26(27)29(41)38-22-12-14-24(15-13-22)43-23-9-3-1-4-10-23/h1,3-4,9-10,12-17,21H,2,5-8,11,18-20H2,(H,38,41)(H,39,40)(H4,32,33,36)(H4,34,35,37)
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n/an/an/an/a 1.70E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295703
PNG
(2-(3-(4-((4-phenoxyphenylamino)methyl)phenoxy)prop...)
Show SMILES NC(N)=NCCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C23H26N4O2/c24-23(25)26-15-4-16-28-20-11-7-18(8-12-20)17-27-19-9-13-22(14-10-19)29-21-5-2-1-3-6-21/h1-3,5-14,27H,4,15-17H2,(H4,24,25,26)
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n/an/an/an/a 2.10E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463218
PNG
(CHEMBL4240985)
Show SMILES COC1OC(=O)C(CC[C@@]2(C)C\C=C/C=C(C(O)=O)\C(=C)CC[C@@H]2C)=C1
Show InChI InChI=1S/C21H28O5/c1-14-8-9-15(2)21(3,11-6-5-7-17(14)19(22)23)12-10-16-13-18(25-4)26-20(16)24/h5-7,13,15,18H,1,8-12H2,2-4H3,(H,22,23)/b6-5-,17-7+/t15-,18?,21+/m0/s1
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n/an/an/an/a 2.20E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295705
PNG
(2-(3-(4-((benzhydrylamino)methyl)phenoxy)propyl)gu...)
Show SMILES NC(N)=NCCCOc1ccc(CNC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H28N4O/c25-24(26)27-16-7-17-29-22-14-12-19(13-15-22)18-28-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,28H,7,16-18H2,(H4,25,26,27)
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n/an/an/an/a 2.30E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/an/an/a 2.76E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400563
PNG
(CHEMBL2206241)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C)c2n1
Show InChI InChI=1S/C16H22N6OS/c1-4-11(8-23)19-16-20-14(13-15(21-16)22(3)9-18-13)17-7-12-6-5-10(2)24-12/h5-6,9,11,23H,4,7-8H2,1-3H3,(H2,17,19,20,21)/t11-/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295699
PNG
(2-(3-Guanidino-propoxy)-N-(6-phenoxy-benzothiazol-...)
Show SMILES NC(N)=NCCCOc1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C24H23N5O3S/c25-23(26)27-13-6-14-31-20-10-5-4-9-18(20)22(30)29-24-28-19-12-11-17(15-21(19)33-24)32-16-7-2-1-3-8-16/h1-5,7-12,15H,6,13-14H2,(H4,25,26,27)(H,28,29,30)
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n/an/an/an/a 3.30E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
L-type calcium channel alpha-1c/beta-2/alpha2delta-1


(Homo sapiens (Human))
BDBM50538344
PNG
(CHEMBL4633246)
Show SMILES Cc1c(Cc2ccc(nc2)C(F)(F)F)c[nH]c1C(=O)NC1CC1
Show InChI InChI=1S/C16H16F3N3O/c1-9-11(8-21-14(9)15(23)22-12-3-4-12)6-10-2-5-13(20-7-10)16(17,18)19/h2,5,7-8,12,21H,3-4,6H2,1H3,(H,22,23)
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n/an/an/an/a>3.30E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human Cav1.2 by fluorescence based assay


J Med Chem 63: 4929-4956 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00311
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295702
PNG
(CHEMBL552193 | [4-(3-Amino-propoxy)-benzyl]-(4-phe...)
Show SMILES NCCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H24N2O2/c23-15-4-16-25-20-11-7-18(8-12-20)17-24-19-9-13-22(14-10-19)26-21-5-2-1-3-6-21/h1-3,5-14,24H,4,15-17,23H2
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n/an/an/an/a 3.40E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400567
PNG
(CHEMBL2206248)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C)c2n1
Show InChI InChI=1S/C17H22N6O/c1-3-13(10-24)20-17-21-15(14-16(22-17)23(2)11-19-14)18-9-12-7-5-4-6-8-12/h4-8,11,13,24H,3,9-10H2,1-2H3,(H2,18,20,21,22)/t13-/m1/s1
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n/an/an/an/a>7.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304180
PNG
(2-(8-Aminooctanamido)-5-(3-aminopropoxy)-N-(4-phen...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H38N4O4/c31-19-8-3-1-2-7-12-29(35)34-28-18-17-26(37-21-9-20-32)22-27(28)30(36)33-23-13-15-25(16-14-23)38-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21,31-32H2,(H,33,36)(H,34,35)
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n/an/an/an/a 7.20E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295700
PNG
(CHEMBL550448 | [4-(3-Amino-propoxy)-benzyl]-(6-phe...)
Show SMILES NCCCOc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1
Show InChI InChI=1S/C23H23N3O2S/c24-13-4-14-27-18-9-7-17(8-10-18)16-25-23-26-21-12-11-20(15-22(21)29-23)28-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16,24H2,(H,25,26)
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n/an/an/an/a 7.60E+4n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304190
PNG
(2-(5-Aminopentanamido)-5-(3-aminopropoxy)-N-(4-phe...)
Show SMILES NCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N4O4/c28-16-5-4-9-26(32)31-25-15-14-23(34-18-6-17-29)19-24(25)27(33)30-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18,28-29H2,(H,30,33)(H,31,32)
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n/an/an/an/a 7.70E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/an/an/a 8.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304182
PNG
(5-(4-Aminobutoxy)-2-(8-aminooctanamido)-N-(4-pheno...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H40N4O4/c32-20-8-3-1-2-7-13-30(36)35-29-19-18-27(38-22-10-9-21-33)23-28(29)31(37)34-24-14-16-26(17-15-24)39-25-11-5-4-6-12-25/h4-6,11-12,14-19,23H,1-3,7-10,13,20-22,32-33H2,(H,34,37)(H,35,36)
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n/an/an/an/a 9.00E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50304181
PNG
(5-(4-Aminobutoxy)-2-(6-aminohexanamido)-N-(4-pheno...)
Show SMILES NCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H36N4O4/c30-18-6-2-5-11-28(34)33-27-17-16-25(36-20-8-7-19-31)21-26(27)29(35)32-22-12-14-24(15-13-22)37-23-9-3-1-4-10-23/h1,3-4,9-10,12-17,21H,2,5-8,11,18-20,30-31H2,(H,32,35)(H,33,34)
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n/an/an/an/a 9.90E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting


Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50400564
PNG
(CHEMBL2206242)
Show SMILES CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12
Show InChI InChI=1S/C18H26N6OS/c1-4-8-24-11-20-15-16(19-9-14-7-6-12(3)26-14)22-18(23-17(15)24)21-13(5-2)10-25/h6-7,11,13,25H,4-5,8-10H2,1-3H3,(H2,19,21,22,23)/t13-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at L-type Cav1.3 expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400584
PNG
(CHEMBL2206259)
Show SMILES CCCn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H](CC)CO)nc12
Show InChI InChI=1S/C25H30N6O/c1-3-14-31-17-27-22-23(29-25(30-24(22)31)28-21(4-2)16-32)26-15-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,17,21,32H,3-4,14-16H2,1-2H3,(H2,26,28,29,30)/t21-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400583
PNG
(CHEMBL2206260)
Show SMILES CCCn1cnc2c(NC(c3ccccc3)c3ccccc3)nc(N[C@H](CC)CO)nc12
Show InChI InChI=1S/C25H30N6O/c1-3-15-31-17-26-22-23(29-25(30-24(22)31)27-20(4-2)16-32)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21,32H,3-4,15-16H2,1-2H3,(H2,27,28,29,30)/t20-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295706
PNG
(3-{4-[(2,2-Diphenyl-ethylamino)-methyl]-phenoxy}-p...)
Show SMILES NCCCOc1ccc(CNCC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H28N2O/c25-16-7-17-27-23-14-12-20(13-15-23)18-26-19-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15,24,26H,7,16-19,25H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295704
PNG
(3-{4-[(Benzhydryl-amino)-methyl]-phenoxy}-propylam...)
Show SMILES NCCCOc1ccc(CNC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H26N2O/c24-16-7-17-26-22-14-12-19(13-15-22)18-25-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-15,23,25H,7,16-18,24H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50295698
PNG
(2-(3-Amino-propoxy)-N-(6-phenoxy-benzothiazol-2-yl...)
Show SMILES NCCCOc1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
Show InChI InChI=1S/C23H21N3O3S/c24-13-6-14-28-20-10-5-4-9-18(20)22(27)26-23-25-19-12-11-17(15-21(19)30-23)29-16-7-2-1-3-8-16/h1-5,7-12,15H,6,13-14,24H2,(H,25,26,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Inhibition of rat neuronal Cav2.2 channel


Bioorg Med Chem Lett 19: 2763-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.130
BindingDB Entry DOI: 10.7270/Q2MC9029
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400568
PNG
(CHEMBL2206240)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25F3N6O/c1-4-15(10-30)26-19-27-17(16-18(28-19)29(11-25-16)12(2)3)24-9-13-6-5-7-14(8-13)20(21,22)23/h5-8,11-12,15,30H,4,9-10H2,1-3H3,(H2,24,26,27,28)/t15-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50400569
PNG
(CHEMBL2206255)
Show SMILES CC[C@H](CO)Nc1nc(NC(c2ccccc2)c2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C25H30N6O/c1-4-20(15-32)27-25-29-23(22-24(30-25)31(16-26-22)17(2)3)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,32H,4,15H2,1-3H3,(H2,27,28,29,30)/t20-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50378235
PNG
(CHEMBL461557)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50358220
PNG
(CHEMBL455389)
Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C18H25N7O/c1-4-14(10-26)22-18-23-16(20-9-13-6-5-7-19-8-13)15-17(24-18)25(11-21-15)12(2)3/h5-8,11-12,14,26H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
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