Found 1069 hits of ic50 for UniProtKB: Q00975 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
(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
antibodypedia
GoogleScholar
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)) | 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
antibodypedia
GoogleScholar
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| 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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246344
(US9434693, 39)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wD:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-1.78,-3.99,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-4.44,-3.99,;-5.78,-4.76,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-3.11,-1.68,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)| Show InChI InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246342
(US9434693, 37)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O4S/c1-24(2)15-19(16-25(3,4)33(24,29)30)32-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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
antibodypedia
GoogleScholar
AffyNet
| 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246350
(US9434693, 45)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O4S/c1-25(2)15-20(16-26(3,4)34(25,30)31)33-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)32-5/h6-14,20H,15-16H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246343
(US9434693, 38)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wU:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-3.11,-1.68,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-4.44,-3.99,;-5.78,-4.76,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-1.78,-3.99,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)| Show InChI InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246338
(US9434693, 33)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O5S/c1-25(2)16-20(17-26(3,4)34(25,29)30)33-24-15-22(18-11-13-19(31-5)14-12-18)28(27-24)21-9-7-8-10-23(21)32-6/h7-15,20H,16-17H2,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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
antibodypedia
GoogleScholar
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246345
(US9434693, 40)Show SMILES COc1ccccc1-n1nc(OCC2C(C)(C)OC2(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN2O3/c1-23(2)21(24(3,4)30-23)15-29-22-14-19(16-10-12-17(25)13-11-16)27(26-22)18-8-6-7-9-20(18)28-5/h6-14,21H,15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246339
(US9434693, 34)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.62,5.55,;-5.14,5.95,;-4.05,4.86,;-2.56,5.26,;-1.47,4.17,;-1.87,2.68,;-3.36,2.28,;-4.45,3.37,;-.78,1.59,;-.78,.05,;.68,-.42,;1.08,-1.91,;2.42,-2.68,;2.42,-4.22,;3.75,-4.99,;3.75,-6.53,;2.42,-5.76,;5.08,-4.22,;6.42,-4.99,;5.08,-2.68,;6.62,-2.68,;5.85,-1.35,;3.75,-1.91,;1.59,.82,;.68,2.07,;1.08,3.56,;-.01,4.64,;.39,6.13,;1.88,6.53,;2.97,5.44,;2.57,3.95,;3.66,2.87,;3.26,1.38,)| Show InChI InChI=1S/C26H32N2O4S/c1-25(2)16-20(17-26(3,4)33(25)29)32-24-15-22(18-11-13-19(30-5)14-12-18)28(27-24)21-9-7-8-10-23(21)31-6/h7-15,20H,16-17H2,1-6H3/t20?,33- | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246341
(US9434693, 36)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O2S/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3 | PDB
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246337
(US9434693, 32)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)SC(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O3S/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246333
(US9434693, 28)Show SMILES CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H32ClN3O4S/c1-18(2)33-25-8-6-5-7-23(25)30-24(20-9-11-21(27)12-10-20)17-26(28-30)34-22-13-15-29(16-14-22)35(31,32)19(3)4/h5-12,17-19,22H,13-16H2,1-4H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246348
(US9434693, 43)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O3/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246340
(US9434693, 35)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.83,4.93,;-5.34,5.33,;-4.25,4.24,;-2.76,4.63,;-1.68,3.55,;-2.07,2.06,;-3.56,1.66,;-4.65,2.75,;-.99,.97,;-.99,-.57,;.48,-1.05,;.88,-2.53,;2.37,-2.93,;2.76,-4.42,;4.25,-4.82,;2.76,-5.22,;3.16,-5.91,;5.34,-3.73,;6.83,-3.33,;4.94,-2.24,;5.34,-.75,;6.43,-1.84,;3.45,-1.84,;1.38,.2,;.48,1.45,;.88,2.93,;-.21,4.02,;.19,5.51,;1.68,5.91,;2.76,4.82,;2.37,3.33,;3.45,2.24,;3.06,.75,)| Show InChI InChI=1S/C26H32N2O4S/c1-25(2)16-20(17-26(3,4)33(25)29)32-24-15-22(18-11-13-19(30-5)14-12-18)28(27-24)21-9-7-8-10-23(21)31-6/h7-15,20H,16-17H2,1-6H3/t20?,33- | PDB
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246329
(US9434693, 23)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN2O3/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246335
(US9434693, 30)Show SMILES COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)c2c(C)noc2C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN4O5S/c1-15-24(16(2)34-27-15)35(30,31)28-13-19(14-28)33-23-12-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)32-3/h4-12,19H,13-14H2,1-3H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FR01Q2 |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246321
(US9434693, 15)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C2CC2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26ClN3O4S/c1-31-23-5-3-2-4-21(23)28-22(17-6-8-18(25)9-7-17)16-24(26-28)32-19-12-14-27(15-13-19)33(29,30)20-10-11-20/h2-9,16,19-20H,10-15H2,1H3 | PDB
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| US Patent
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246336
(US9434693, 31)Show SMILES COc1ccc(cc1)-c1cc(OC2CC(C)(C)OC(C)(C)C2)nn1-c1ccccc1OC Show InChI InChI=1S/C26H32N2O4/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246346
(US9434693, 41)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)C(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H29ClN2O3/c1-25(2)15-19(16-26(3,4)24(25)30)32-23-14-21(17-10-12-18(27)13-11-17)29(28-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246319
(US9434693, 13)Show SMILES COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1 |r,wU:12.12,15.19,(4.61,5.19,;3.84,3.85,;2.3,3.85,;1.53,5.19,;-.01,5.19,;-.78,3.85,;-.01,2.52,;1.53,2.52,;2.3,1.18,;1.39,-.06,;2.3,-1.31,;1.9,-2.79,;.41,-3.19,;-.68,-2.1,;-2.17,-2.5,;-2.56,-3.99,;-1.48,-5.08,;.01,-4.68,;-4.05,-4.39,;-5.14,-3.3,;-4.74,-1.81,;-6.63,-3.7,;-8.12,-4.1,;-7.03,-2.21,;-6.23,-5.19,;3.76,-.83,;3.76,.71,;4.85,1.8,;6.34,1.4,;7.43,2.49,;7.03,3.98,;8.12,5.06,;5.54,4.37,;4.45,3.29,)| Show InChI InChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)/t17-,18+ | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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)) | 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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246349
(US9434693, 44)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C26H29N3O2S/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246310
(US9434693, 4)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)N(C)C)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN4O3/c1-27(2)24(30)28-14-12-19(13-15-28)32-23-16-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)31-3/h4-11,16,19H,12-15H2,1-3H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246351
(US9434693, 46)Show SMILES COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(cc1)C#N |r,wU:17.18,(3.06,1.12,;3.46,2.61,;2.37,3.7,;2.77,5.19,;1.68,6.28,;.19,5.88,;-.21,4.39,;.88,3.3,;.48,1.82,;1.39,.57,;.48,-.68,;.88,-2.16,;2.22,-2.93,;2.22,-4.47,;3.55,-5.24,;3.55,-6.78,;2.22,-6.01,;4.88,-4.47,;6.22,-5.24,;4.88,-2.93,;6.42,-2.93,;5.65,-1.6,;3.55,-2.16,;-.98,-.2,;-.98,1.34,;-2.07,2.43,;-1.67,3.92,;-2.76,5,;-4.29,4.65,;-4.65,3.12,;-3.56,2.03,;-5.37,5.73,;-6.46,6.82,)| Show InChI InChI=1S/C26H29N3O3S/c1-25(2)15-20(16-26(3,4)33(25)30)32-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)31-5/h6-14,20H,15-16H2,1-5H3/t20?,33- | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246334
(US9434693, 29)Show SMILES CON(C)C(=O)N1CC(C1)Oc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1OC Show InChI InChI=1S/C22H23ClN4O4/c1-25(30-3)22(28)26-13-17(14-26)31-21-12-19(15-8-10-16(23)11-9-15)27(24-21)18-6-4-5-7-20(18)29-2/h4-12,17H,13-14H2,1-3H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246312
(US9434693, 6)Show InChI InChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246311
(US9434693, 5)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClN3O4S/c1-29-21-6-4-3-5-19(21)26-20(16-7-9-17(23)10-8-16)15-22(24-26)30-18-11-13-25(14-12-18)31(2,27)28/h3-10,15,18H,11-14H2,1-2H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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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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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246326
(US9434693, 20)Show SMILES CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H28ClN3O4S/c1-17(2)31-23-7-5-4-6-21(23)28-22(18-8-10-19(25)11-9-18)16-24(26-28)32-20-12-14-27(15-13-20)33(3,29)30/h4-11,16-17,20H,12-15H2,1-3H3 | PDB
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| n/a | n/a | 21.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
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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| PDB
Article
PubMed
| n/a | n/a | 24 | 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 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 L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1
(Homo sapiens (Human)) | BDBM246320
(US9434693, 14)Show SMILES COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21ClF3N3O4S/c1-32-20-5-3-2-4-18(20)29-19(15-6-8-16(23)9-7-15)14-21(27-29)33-17-10-12-28(13-11-17)34(30,31)22(24,25)26/h2-9,14,17H,10-13H2,1H3 | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
Calcium mobilization responses to KCl depolarization were evaluated by measuring the intensity of calcium-mediated fluorescent signal in the presence... |
US Patent US9434693 (2016)
BindingDB Entry DOI: 10.7270/Q29S1PZJ |
More data for this
Ligand-Target Pair | |
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