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PubMed code 10714496

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50085561
PNG
(4-[2-(3-{2-[2-(3-Hydroxy-phenyl)-ethyl]-benzyloxy}...)
Show SMILES CC(C)Oc1cc(OCCc2ccc(cc2)C(N)=N)cc(OCc2ccccc2CCc2cccc(O)c2)c1
Show InChI InChI=1S/C33H36N2O4/c1-23(2)39-32-20-30(37-17-16-24-10-14-27(15-11-24)33(34)35)19-31(21-32)38-22-28-8-4-3-7-26(28)13-12-25-6-5-9-29(36)18-25/h3-11,14-15,18-21,23,36H,12-13,16-17,22H2,1-2H3,(H3,34,35)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channel (VSCC) in IMR-32 at 10 uM

Bioorg Med Chem Lett 10: 345-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PV6JKZ
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)		BDBM50085561
PNG
(4-[2-(3-{2-[2-(3-Hydroxy-phenyl)-ethyl]-benzyloxy}...)
Show SMILES CC(C)Oc1cc(OCCc2ccc(cc2)C(N)=N)cc(OCc2ccccc2CCc2cccc(O)c2)c1
Show InChI InChI=1S/C33H36N2O4/c1-23(2)39-32-20-30(37-17-16-24-10-14-27(15-11-24)33(34)35)19-31(21-32)38-22-28-8-4-3-7-26(28)13-12-25-6-5-9-29(36)18-25/h3-11,14-15,18-21,23,36H,12-13,16-17,22H2,1-2H3,(H3,34,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of L-type [Ca2+] channel (VSCC) in rat A7r5 vascular smooth muscle cells

Bioorg Med Chem Lett 10: 345-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PV6JKZ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50085560
PNG
(4-[2-(3-{2-[2-(4-Hydroxy-phenyl)-ethyl]-benzyloxy}...)
Show SMILES CC(C)Oc1cc(OCCc2ccc(cc2)C(N)=N)cc(OCc2ccccc2CCc2ccc(O)cc2)c1
Show InChI InChI=1S/C33H36N2O4/c1-23(2)39-32-20-30(37-18-17-25-8-13-27(14-9-25)33(34)35)19-31(21-32)38-22-28-6-4-3-5-26(28)12-7-24-10-15-29(36)16-11-24/h3-6,8-11,13-16,19-21,23,36H,7,12,17-18,22H2,1-2H3,(H3,34,35)
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UniProtKB/SwissProt

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n/an/a 3.30E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of N-type calcium channel (VSCC) in IMR-32 at 10 uM

Bioorg Med Chem Lett 10: 345-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PV6JKZ
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)		BDBM50085560
PNG
(4-[2-(3-{2-[2-(4-Hydroxy-phenyl)-ethyl]-benzyloxy}...)
Show SMILES CC(C)Oc1cc(OCCc2ccc(cc2)C(N)=N)cc(OCc2ccccc2CCc2ccc(O)cc2)c1
Show InChI InChI=1S/C33H36N2O4/c1-23(2)39-32-20-30(37-18-17-25-8-13-27(14-9-25)33(34)35)19-31(21-32)38-22-28-6-4-3-5-26(28)12-7-24-10-15-29(36)16-11-24/h3-6,8-11,13-16,19-21,23,36H,7,12,17-18,22H2,1-2H3,(H3,34,35)
PDB

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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of L-type [Ca2+] channel (VSCC) in rat A7r5 vascular smooth muscle cells

Bioorg Med Chem Lett 10: 345-7 (2000)


BindingDB Entry DOI: 10.7270/Q2PV6JKZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%