Found 1072 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B' AND taxid = 9606 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247254
(US9447029, 1-7)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247250
(US9447029, 1-1)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247253
(US9447029, 1-6)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247257
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247256
(US9447029, 1-15)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 | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247260
(US9447029, 1-32)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247255
(US9447029, 1-14)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247259
(US9447029, 1-29)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 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50171290
(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) | PDB
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CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM247264
(US9447029, 4-1)Show InChI InChI=1S/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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM247263
(US9447029, 3-3)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 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| US Patent
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50187673
(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) | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM21280
(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 | PDB
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PC sid
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 284: 644-50 (1998)
BindingDB Entry DOI: 10.7270/Q2D50KHT |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465788
(CHEMBL4292697)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(cc1)C#N)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H29N3O2/c1-25(2)15-20(16-26(3,4)31-25)21-14-23(19-12-10-18(17-27)11-13-19)29(28-21)22-8-6-7-9-24(22)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465792
(CHEMBL4279774)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 | PDB
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PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465794
(CHEMBL4288564)Show SMILES CCN(CC)c1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C28H36ClN3O/c1-7-31(8-2)24-11-9-10-12-25(24)32-26(20-13-15-22(29)16-14-20)17-23(30-32)21-18-27(3,4)33-28(5,6)19-21/h9-17,21H,7-8,18-19H2,1-6H3 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465796
(CHEMBL4290426)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOC(C)(C)C1 Show InChI InChI=1S/C23H25ClN2O2/c1-23(2)15-17(12-13-28-23)19-14-21(16-8-10-18(24)11-9-16)26(25-19)20-6-4-5-7-22(20)27-3/h4-11,14,17H,12-13,15H2,1-3H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465791
(CHEMBL4289288)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1C[C@H](C)O[C@@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465800
(CHEMBL4282095)Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C27H34N2O3/c1-7-31-21-14-12-19(13-15-21)24-16-22(20-17-26(2,3)32-27(4,5)18-20)28-29(24)23-10-8-9-11-25(23)30-6/h8-16,20H,7,17-18H2,1-6H3 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465798
(CHEMBL4278633)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16+,18+ | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611567
(US10626144, Compound 25.1)Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465789
(CHEMBL4293756)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1=CC(C)(C)OC(C)(C)C1 |t:23| Show InChI InChI=1S/C25H27ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-15H,16H2,1-5H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611541
(US10626144, Compound 22.15)Show SMILES CC=C(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465786
(CHEMBL4283590)Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465802
(CHEMBL4294178)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(C)nc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H31N3O2/c1-17-11-12-18(16-26-17)22-13-20(19-14-24(2,3)30-25(4,5)15-19)27-28(22)21-9-7-8-10-23(21)29-6/h7-13,16,19H,14-15H2,1-6H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465793
(CHEMBL4277584)Show SMILES COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C23H27ClN2O2S/c1-22(2)12-16(13-23(3,4)28-22)17-11-19(15-10-21(24)29-14-15)26(25-17)18-8-6-7-9-20(18)27-5/h6-11,14,16H,12-13H2,1-5H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465795
(CHEMBL4285527)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1CCO[C@@H](C1)C(C)C |r| Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24+/m1/s1 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465801
(CHEMBL4291986)Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccncc1 Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)20-13-21(16-5-7-18(24)8-6-16)27(26-20)19-9-11-25-12-10-19/h5-13,17H,14-15H2,1-4H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611535
(US10626144, Compound Odilomycin C)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:59.61,40.40,21.26,wD:47.53,78.80,74.76,63.65,67.69,30.37,8.13,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465797
(CHEMBL4280661)Show SMILES COc1ccccc1-n1nc(cc1-c1ccnc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C24H28ClN3O2/c1-23(2)14-17(15-24(3,4)30-23)18-13-20(16-10-11-26-22(25)12-16)28(27-18)19-8-6-7-9-21(19)29-5/h6-13,17H,14-15H2,1-5H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465798
(CHEMBL4278633)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1C[C@H](C)O[C@H](C)C1 |r| Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16+,18+ | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465790
(CHEMBL4284117)Show SMILES CC1(C)CC(CC(C)(C)O1)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccn1 Show InChI InChI=1S/C23H26ClN3O/c1-22(2)14-17(15-23(3,4)28-22)19-13-20(16-8-10-18(24)11-9-16)27(26-19)21-7-5-6-12-25-21/h5-13,17H,14-15H2,1-4H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465792
(CHEMBL4279774)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50399552
(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 | PDB
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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-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465799
(CHEMBL4285877)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1CCO[C@H](C1)C(C)C |r| Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24-/m1/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465803
(CHEMBL4292404)Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| Show InChI InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-46-174-172-44-55(107)82(152)124-57(17-7-11-28-104)84(154)116-38-75(145)120-56(16-6-10-27-103)83(153)115-37-74(144)119-51(3)81(151)123-59(19-9-13-30-106)89(159)134-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)48-176-177-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70-47-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(126-96(70)166)21-15-32-114-102(111)112/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465792
(CHEMBL4279774)Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 | PDB
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of low frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated p... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611534
(US10626144, Compound Odilomycin A)Show SMILES NCCCCNC(=O)[C@H](CCC(O)CN)NC(=O)C(\NC(=O)[C@H](CCC(O)CN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@@H](O)CN)=C\CCN=C(N)N |wU:61.63,42.42,22.28,wD:49.55,80.82,76.78,65.67,69.71,32.39,8.14,(-15.75,2.94,;-14.51,3.85,;-13.1,3.22,;-11.86,4.13,;-10.45,3.51,;-9.21,4.42,;-7.8,3.8,;-7.63,2.27,;-6.55,4.71,;-6.72,6.24,;-8.13,6.86,;-8.29,8.39,;-7.05,9.3,;-9.7,9.01,;-9.87,10.55,;-5.14,4.09,;-3.9,5,;-4.07,6.53,;-2.49,4.37,;-2.33,2.84,;-.92,2.22,;.32,3.13,;-.75,.69,;-2,-.22,;-1.83,-1.75,;-3.07,-2.66,;-4.48,-2.04,;-2.91,-4.19,;-4.15,-5.1,;.66,.07,;.82,-1.46,;-.42,-2.37,;2.23,-2.09,;3.47,-1.18,;3.31,.36,;1.97,1.12,;2.29,2.63,;3.82,2.79,;4.45,1.39,;2.4,-3.62,;3.81,-4.24,;5.05,-3.33,;3.97,-5.77,;2.83,-6.8,;3.46,-8.21,;4.99,-8.04,;5.31,-6.53,;6.71,-5.9,;6.87,-4.37,;7.96,-6.81,;7.81,-8.34,;6.4,-8.97,;6.24,-10.5,;4.84,-11.13,;9.37,-6.17,;10.62,-7.08,;10.46,-8.61,;12.02,-6.44,;13.27,-7.35,;14.67,-6.72,;14.83,-5.18,;15.92,-7.62,;17.33,-6.99,;18.58,-7.89,;18.42,-9.42,;19.98,-7.26,;21.23,-8.16,;22.63,-7.53,;22.79,-5.99,;23.88,-8.43,;23.73,-9.96,;25.29,-7.8,;26.54,-8.7,;27.94,-8.07,;29.19,-8.97,;30.6,-8.34,;20.14,-5.72,;21.54,-5.09,;18.89,-4.82,;19.04,-3.29,;15.77,-9.15,;14.36,-9.78,;17.02,-10.05,;16.86,-11.58,;-1.25,5.28,;.16,4.66,;1.4,5.57,;2.81,4.95,;4.05,5.86,;5.46,5.24,;3.89,7.39,)| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465793
(CHEMBL4277584)Show SMILES COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C23H27ClN2O2S/c1-22(2)12-16(13-23(3,4)28-22)17-11-19(15-10-21(24)29-14-15)26(25-17)18-8-6-7-9-20(18)27-5/h6-11,14,16H,12-13H2,1-5H3 | PDB
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UniChem
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Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465800
(CHEMBL4282095)Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1 Show InChI InChI=1S/C27H34N2O3/c1-7-31-21-14-12-19(13-15-21)24-16-22(20-17-26(2,3)32-27(4,5)18-20)28-29(24)23-10-8-9-11-25(23)30-6/h8-16,20H,7,17-18H2,1-6H3 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of high frequency stimulation-induced Cav2.2 (unknown origin) expressed in HEK293 cells at -80 mV holding membrane potential by automated ... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50465787
(CHEMBL4292985)Show InChI InChI=1S/C21H21ClN2O2/c1-25-21-5-3-2-4-19(21)24-20(16-6-8-17(22)9-7-16)14-18(23-24)15-10-12-26-13-11-15/h2-9,14-15H,10-13H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development, L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by... |
Bioorg Med Chem Lett 28: 3780-3783 (2018)
Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611537
(US10626144, Compound 22.3)Show SMILES CN[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)N[C@@H]([C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611536
(US10626144, Compound 21.1)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)=C\CCNC(N)=N |r| | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611575
(US10626144, Compound 224.1)Show SMILES NCCCCNC(=O)[C@H](CCCCN)NC(=O)C(\NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCN)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)[C@H](CN)OC(=O)C(F)(F)F)=C\CCNC(N)=N |r| | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611573
(US10626144, Compound 212.1)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611571
(US10626144, Compound 28.1)Show SMILES CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611569
(US10626144, Compound 27.1)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611552
(US10626144, Compound 24.67)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC#C)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611550
(US10626144, Compound 24.22)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM611549
(US10626144, Compound 24.20)Show SMILES C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](O)CN)C(=O)NCC(=O)N[C@H](CCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N\C(=C/CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCN |r| | PDB
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BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
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