Found 63 hits of ec50 data for polymerid = 10753,49000313 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Voltage-dependent N-type calcium channel subunit alpha-1B
(Rattus norvegicus (Rat)) | BDBM50295697
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccc(-[#8])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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/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
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccccc3)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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.18E+3 | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/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
(2-(3-aminopropoxy)-N-(4-(3-(diaminomethyleneamino)...)Show SMILES [#7]-[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7](-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-c1nc2ccc(-[#8]-c3ccc(-[#8])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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/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
(CHEMBL565078 | N-(3-{4-[(6-Phenoxy-benzothiazol-2-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-c2nc3ccc(-[#8]-c4ccccc4)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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/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
(CHEMBL593380 | N-(4-(4-Fluorophenoxy)phenyl)-2-(8-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccc(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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400564
(CHEMBL2206242)Show SMILES CCCn1cnc2c(NCc3ccc(C)s3)nc(N[C@H](CC)CO)nc12 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.21E+3 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400566
(CHEMBL2206239)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C(C)C)c2n1 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/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
(2-(3-(4-((2,2-diphenylethylamino)methyl)phenoxy)pr...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]-[#6](-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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/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)) | BDBM50304185
(2-(5-Guanidino-octanamido)-5-(3-guanidinopropoxy)-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400565
(CHEMBL2206262)Show SMILES CCCn1cnc2c(NCc3ccccc3)nc(N[C@H](CC)CO)nc12 |r| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/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
(2-(5-Guanidino-octanamido)-5-(3-guanidinobutoxy)-N...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/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
(2-(8-Guanidinooctanamido)-5-(3-guanidinopropoxy)-N...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccc(-[#8])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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/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
(2-(5-Guanidinohexanamido)-5-(3-guanidinopropoxy)-N...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)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) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/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
(2-(5-Guanidinohexanamido)-5-(3-guanidinobutoxy)-N-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)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) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/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
(2-(3-(4-((4-phenoxyphenylamino)methyl)phenoxy)prop...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-c2ccc(-[#8]-c3ccccc3)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) | PDB
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| n/a | n/a | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/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)) | BDBM50295705
(2-(3-(4-((benzhydrylamino)methyl)phenoxy)propyl)gu...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-[#6](-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) | PDB
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| n/a | n/a | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 2.76E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400563
(CHEMBL2206241)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C)c2n1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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
(2-(3-Guanidino-propoxy)-N-(6-phenoxy-benzothiazol-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#8]-c1ccccc1-[#6](=O)-[#7]-c1nc2ccc(-[#8]-c3ccccc3)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) | PDB
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| n/a | n/a | n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/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)) | BDBM50295702
(CHEMBL552193 | [4-(3-Amino-propoxy)-benzyl]-(4-phe...)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 | PDB
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| n/a | n/a | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400567
(CHEMBL2206248)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C)c2n1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | >7.00E+4 | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/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
(CHEMBL550448 | [4-(3-Amino-propoxy)-benzyl]-(6-phe...)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) | PDB
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| n/a | n/a | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | n/a | n/a | 7.70E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50366800
(OLOMOUCINE II)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | n/a | n/a | 9.90E+4 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400584
(CHEMBL2206259)Show SMILES CCCn1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H](CC)CO)nc12 |r| 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 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400578
(CHEMBL2206245)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C)c2n1 |r| Show InChI InChI=1S/C23H26N6O/c1-3-19(14-30)26-23-27-21(20-22(28-23)29(2)15-25-20)24-13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,30H,3,13-14H2,1-2H3,(H2,24,26,27,28)/t19-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400582
(CHEMBL2206261)Show SMILES CCCn1cnc2c(NCCc3ccccc3)nc(N[C@H](CC)CO)nc12 |r| Show InChI InChI=1S/C20H28N6O/c1-3-12-26-14-22-17-18(21-11-10-15-8-6-5-7-9-15)24-20(25-19(17)26)23-16(4-2)13-27/h5-9,14,16,27H,3-4,10-13H2,1-2H3,(H2,21,23,24,25)/t16-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50400581
(CHEMBL2206263)Show SMILES CCCn1cnc2c(Nc3ccccc3)nc(N[C@H](CC)CO)nc12 |r| Show InChI InChI=1S/C18H24N6O/c1-3-10-24-12-19-15-16(20-14-8-6-5-7-9-14)22-18(23-17(15)24)21-13(4-2)11-25/h5-9,12-13,25H,3-4,10-11H2,1-2H3,(H2,20,21,22,23)/t13-/m1/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/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)) | BDBM50295698
(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) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/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
(3-{4-[(Benzhydryl-amino)-methyl]-phenoxy}-propylam...)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 | PDB
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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
(Homo sapiens (Human)) | BDBM50400580
(CHEMBL2206243)Show SMILES CCCn1cnc2c(NCc3cccnc3)nc(N[C@H](CC)CO)nc12 |r| Show InChI InChI=1S/C18H25N7O/c1-3-8-25-12-21-15-16(20-10-13-6-5-7-19-9-13)23-18(24-17(15)25)22-14(4-2)11-26/h5-7,9,12,14,26H,3-4,8,10-11H2,1-2H3,(H2,20,22,23,24)/t14-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400583
(CHEMBL2206260)Show SMILES CCCn1cnc2c(NC(c3ccccc3)c3ccccc3)nc(N[C@H](CC)CO)nc12 |r| 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 | PDB
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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
(Homo sapiens (Human)) | BDBM50400579
(CHEMBL2206244)Show SMILES CCCn1cnc2c(NCC3CC3)nc(N[C@H](CC)CO)nc12 |r| Show InChI InChI=1S/C16H26N6O/c1-3-7-22-10-18-13-14(17-8-11-5-6-11)20-16(21-15(13)22)19-12(4-2)9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)/t12-/m1/s1 | PDB
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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
(3-{4-[(2,2-Diphenyl-ethylamino)-methyl]-phenoxy}-p...)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 | PDB
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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
(Homo sapiens (Human)) | BDBM50400568
(CHEMBL2206240)Show SMILES CC[C@H](CO)Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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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
(Homo sapiens (Human)) | BDBM50400569
(CHEMBL2206255)Show SMILES CC[C@H](CO)Nc1nc(NC(c2ccccc2)c2ccccc2)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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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
(Homo sapiens (Human)) | BDBM50378235
(CHEMBL461557)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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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
(Homo sapiens (Human)) | BDBM50358220
(CHEMBL455389)Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r| 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 | PDB
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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
(Homo sapiens (Human)) | BDBM50400570
(CHEMBL2206254)Show SMILES CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H28N6O/c1-4-16(12-27)23-20-24-18(21-11-10-15-8-6-5-7-9-15)17-19(25-20)26(13-22-17)14(2)3/h5-9,13-14,16,27H,4,10-12H2,1-3H3,(H2,21,23,24,25)/t16-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400571
(CHEMBL2206253)Show SMILES CC[C@H](CO)Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C16H26N6O/c1-4-12(8-23)19-16-20-14(17-7-11-5-6-11)13-15(21-16)22(9-18-13)10(2)3/h9-12,23H,4-8H2,1-3H3,(H2,17,19,20,21)/t12-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400572
(CHEMBL2206252)Show SMILES CCCn1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(N[C@H](CC)CO)nc12 |r| Show InChI InChI=1S/C20H25F3N6O/c1-3-9-29-12-25-16-17(27-19(28-18(16)29)26-15(4-2)11-30)24-10-13-5-7-14(8-6-13)20(21,22)23/h5-8,12,15,30H,3-4,9-11H2,1-2H3,(H2,24,26,27,28)/t15-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400573
(CHEMBL2206251)Show SMILES CC[C@H](CO)Nc1nc(NCc2cccnc2)c2ncn(C)c2n1 |r| Show InChI InChI=1S/C16H21N7O/c1-3-12(9-24)20-16-21-14(13-15(22-16)23(2)10-19-13)18-8-11-5-4-6-17-7-11/h4-7,10,12,24H,3,8-9H2,1-2H3,(H2,18,20,21,22)/t12-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400574
(CHEMBL2206250)Show InChI InChI=1S/C14H22N6O/c1-3-10(7-21)17-14-18-12(15-6-9-4-5-9)11-13(19-14)20(2)8-16-11/h8-10,21H,3-7H2,1-2H3,(H2,15,17,18,19)/t10-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400575
(CHEMBL2206249)Show SMILES CC[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C)c2n1 |r| Show InChI InChI=1S/C16H20N6O/c1-3-11(9-23)19-16-20-14(18-12-7-5-4-6-8-12)13-15(21-16)22(2)10-17-13/h4-8,10-11,23H,3,9H2,1-2H3,(H2,18,19,20,21)/t11-/m1/s1 | PDB
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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
(Homo sapiens (Human)) | BDBM50400576
(CHEMBL2206247)Show SMILES CC[C@H](CO)Nc1nc(NCCc2ccccc2)c2ncn(C)c2n1 |r| Show InChI InChI=1S/C18H24N6O/c1-3-14(11-25)21-18-22-16(15-17(23-18)24(2)12-20-15)19-10-9-13-7-5-4-6-8-13/h4-8,12,14,25H,3,9-11H2,1-2H3,(H2,19,21,22,23)/t14-/m1/s1 | PDB
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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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