Found 14 hits of Enzyme Inhibition Constant Data 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)) | BDBM50080295
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C45H59N3O2/c1-45(41-21-23-43(49)39(31-41)35-46-26-12-2-3-13-27-46,42-22-24-44(50)40(32-42)36-47-28-14-4-5-15-29-47)25-16-30-48(33-37-17-8-6-9-18-37)34-38-19-10-7-11-20-38/h6-11,17-24,31-32,49-50H,2-5,12-16,25-30,33-36H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50071611
(6-Azepan-1-ylmethyl-2-(4,4-diphenyl-butyl)-1,2,3,4...)Show SMILES Oc1c(CN2CCCCCC2)ccc2CN(CCCC(c3ccccc3)c3ccccc3)CCc12 Show InChI InChI=1S/C32H40N2O/c35-32-29(25-33-20-9-1-2-10-21-33)18-17-28-24-34(23-19-31(28)32)22-11-16-30(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-15,17-18,30,35H,1-2,9-11,16,19-25H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080302
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C43H54N2O3/c1-42(38-20-22-40(46)34(30-38)32-44-26-12-2-3-13-27-44,39-21-23-41(47)35(31-39)33-45-28-14-4-5-15-29-45)24-25-43(48,36-16-8-6-9-17-36)37-18-10-7-11-19-37/h6-11,16-23,30-31,46-48H,2-5,12-15,24-29,32-33H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080299
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCC(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C43H54N2O2/c1-43(25-24-40(34-16-8-6-9-17-34)35-18-10-7-11-19-35,38-20-22-41(46)36(30-38)32-44-26-12-2-3-13-27-44)39-21-23-42(47)37(31-39)33-45-28-14-4-5-15-29-45/h6-11,16-23,30-31,40,46-47H,2-5,12-15,24-29,32-33H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50080302
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C43H54N2O3/c1-42(38-20-22-40(46)34(30-38)32-44-26-12-2-3-13-27-44,39-21-23-41(47)35(31-39)33-45-28-14-4-5-15-29-45)24-25-43(48,36-16-8-6-9-17-36)37-18-10-7-11-19-37/h6-11,16-23,30-31,46-48H,2-5,12-15,24-29,32-33H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of L-type calcium channels in GH-3 rat pituitary cells |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080296
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(C)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C29H42N2O2/c1-29(2,25-11-13-27(32)23(19-25)21-30-15-7-3-4-8-16-30)26-12-14-28(33)24(20-26)22-31-17-9-5-6-10-18-31/h11-14,19-20,32-33H,3-10,15-18,21-22H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080297
(CHEMBL310763 | N-[2,2-Bis-(3-azepan-1-ylmethyl-4-h...)Show SMILES Oc1ccc(cc1CN1CCCCCC1)C(CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C42H51N3O3/c46-39-21-19-34(27-36(39)30-44-23-11-1-2-12-24-44)38(35-20-22-40(47)37(28-35)31-45-25-13-3-4-14-26-45)29-43-42(48)41(32-15-7-5-8-16-32)33-17-9-6-10-18-33/h5-10,15-22,27-28,38,41,46-47H,1-4,11-14,23-26,29-31H2,(H,43,48) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080298
(2-Azepan-1-ylmethyl-4-[4-hydroxy-1-(4-hydroxy-phen...)Show SMILES CC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C36H41NO3/c1-35(29-16-19-33(38)20-17-29,32-18-21-34(39)28(26-32)27-37-24-10-2-3-11-25-37)22-23-36(40,30-12-6-4-7-13-30)31-14-8-5-9-15-31/h4-9,12-21,26,38-40H,2-3,10-11,22-25,27H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50080296
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(C)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C29H42N2O2/c1-29(2,25-11-13-27(32)23(19-25)21-30-15-7-3-4-8-16-30)26-12-14-28(33)24(20-26)22-31-17-9-5-6-10-18-31/h11-14,19-20,32-33H,3-10,15-18,21-22H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of L-type calcium channels in GH-3 rat pituitary cells |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50080295
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C45H59N3O2/c1-45(41-21-23-43(49)39(31-41)35-46-26-12-2-3-13-27-46,42-22-24-44(50)40(32-42)36-47-28-14-4-5-15-29-47)25-16-30-48(33-37-17-8-6-9-18-37)34-38-19-10-7-11-20-38/h6-11,17-24,31-32,49-50H,2-5,12-16,25-30,33-36H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of L-type calcium channels in GH-3 rat pituitary cells |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S
(Rattus norvegicus-RAT) | BDBM50080299
(2-(1-azepanylmethyl)-4-{1-[3-(1-azepanylmethyl)-4-...)Show SMILES CC(CCC(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C43H54N2O2/c1-43(25-24-40(34-16-8-6-9-17-34)35-18-10-7-11-19-35,38-20-22-41(46)36(30-38)32-44-26-12-2-3-13-27-44)39-21-23-42(47)37(31-39)33-45-28-14-4-5-15-29-45/h6-11,16-23,30-31,40,46-47H,2-5,12-15,24-29,32-33H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of L-type calcium channels in GH-3 rat pituitary cells |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080303
(CHEMBL309411 | N-[2,2-Bis-(3-azepan-1-ylmethyl-4-h...)Show SMILES CC(NC(=O)c1ccccc1)C(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C36H47N3O3/c1-27(37-36(42)28-13-7-6-8-14-28)35(29-15-17-33(40)31(23-29)25-38-19-9-2-3-10-20-38)30-16-18-34(41)32(24-30)26-39-21-11-4-5-12-22-39/h6-8,13-18,23-24,27,35,40-41H,2-5,9-12,19-22,25-26H2,1H3,(H,37,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080301
(CHEMBL310442 | N-[2,2-Bis-(3-azepan-1-ylmethyl-4-h...)Show SMILES Oc1ccc(cc1CN1CCCCCC1)C(CNC(=O)c1ccccc1)c1ccc(O)c(CN2CCCCCC2)c1 Show InChI InChI=1S/C35H45N3O3/c39-33-16-14-28(22-30(33)25-37-18-8-1-2-9-19-37)32(24-36-35(41)27-12-6-5-7-13-27)29-15-17-34(40)31(23-29)26-38-20-10-3-4-11-21-38/h5-7,12-17,22-23,32,39-40H,1-4,8-11,18-21,24-26H2,(H,36,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channel in IMR-32 human neuroblastoma cell |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50080300
(6-[(Z)-Cyclohexyliminomethyl]-isoquinolin-5-ol | C...)Show InChI InChI=1S/C16H18N2O/c19-16-13(11-18-14-4-2-1-3-5-14)7-6-12-10-17-9-8-15(12)16/h6-11,14,19H,1-5H2/b18-11- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of N-type calcium channels in IMR-32 human neuroblastoma cells |
Bioorg Med Chem Lett 9: 2447-52 (1999)
BindingDB Entry DOI: 10.7270/Q2FB524M |
More data for this
Ligand-Target Pair | |
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