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Compile Data Set for Download or QSAR

Found 6 hits of ec50 data for polymerid = 50000969,50002691   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463220
PNG
(CHEMBL4243120)
Show SMILES C[C@H]1CCC(=C)\C(=C/C=C\C[C@]1(C)CCC1=CC(O)OC1=O)C(O)=O |r,c:6,8,t:16|
Show InChI InChI=1S/C20H26O5/c1-13-7-8-14(2)20(3,10-5-4-6-16(13)18(22)23)11-9-15-12-17(21)25-19(15)24/h4-6,12,14,17,21H,1,7-11H2,2-3H3,(H,22,23)/b5-4-,16-6+/t14-,17?,20+/m0/s1
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UniChem
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n/an/an/an/a 4.10E+3n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463216
PNG
(CHEMBL4251191)
Show SMILES [H][C@@]12CCC=C(C(O)=O)[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CCOC1=O |r,t:4,21|
Show InChI InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20-/m0/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463219
PNG
(CHEMBL4246908)
Show SMILES CCOC1OC(=O)C(CC[C@@]2(C)C\C=C/C=C(C(O)=O)\C(=C)CC[C@@H]2C)=C1 |r,c:13,26,t:15|
Show InChI InChI=1S/C22H30O5/c1-5-26-19-14-17(21(25)27-19)11-13-22(4)12-7-6-8-18(20(23)24)15(2)9-10-16(22)3/h6-8,14,16,19H,2,5,9-13H2,1,3-4H3,(H,23,24)/b7-6-,18-8+/t16-,19?,22+/m0/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463215
PNG
(CHEMBL4246780)
Show SMILES [H][C@@]12C=CC=C(C(O)=O)[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=CC(OCC)OC1=O |r,c:2,t:4,21|
Show InChI InChI=1S/C22H30O5/c1-5-26-18-13-15(20(25)27-18)10-12-21(3)14(2)9-11-22(4)16(19(23)24)7-6-8-17(21)22/h6-8,13-14,17-18H,5,9-12H2,1-4H3,(H,23,24)/t14-,17-,18?,21+,22-/m0/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463217
PNG
(CHEMBL4241124)
Show SMILES C[C@H]1CCC(=C)\C(=C/C=C\C[C@]1(C)CCC1=CCOC1=O)C(O)=O |r,c:6,8,t:16|
Show InChI InChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,11-5-4-6-17(14)18(21)22)12-9-16-10-13-24-19(16)23/h4-6,10,15H,1,7-9,11-13H2,2-3H3,(H,21,22)/b5-4-,17-6+/t15-,20+/m0/s1
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50463218
PNG
(CHEMBL4240985)
Show SMILES COC1OC(=O)C(CC[C@@]2(C)C\C=C/C=C(C(O)=O)\C(=C)CC[C@@H]2C)=C1 |r,c:12,25,t:14|
Show InChI InChI=1S/C21H28O5/c1-14-8-9-15(2)21(3,11-6-5-7-17(14)19(22)23)12-10-16-13-18(25-4)26-20(16)24/h5-7,13,15,18H,1,8-12H2,2-4H3,(H,22,23)/b6-5-,17-7+/t15-,18?,21+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20E+4n/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of voltage-dependent L-type calcium channel in Wistar rat 3rd-order mesenteric artery assessed as reduction in norepinephrine-induced vess...


Bioorg Med Chem 26: 4320-4328 (2018)


Article DOI: 10.1016/j.bmc.2018.07.035
BindingDB Entry DOI: 10.7270/Q2ST7SGG
More data for this
Ligand-Target Pair