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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50009014   
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 L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079458
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-1-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2cccc3ccccc23)C(C(=O)OCC)=C(C)N=C1C |c:36,t:33|
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)16-15-21-13-10-12-20-11-8-9-14-22(20)21/h8-14,25,27H,6-7,15-16H2,1-5H3
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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079458
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-1-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2cccc3ccccc23)C(C(=O)OCC)=C(C)N=C1C |c:36,t:33|
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)16-15-21-13-10-12-20-11-8-9-14-22(20)21/h8-14,25,27H,6-7,15-16H2,1-5H3
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4.10n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079463
PNG
(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
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5.60n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079463
PNG
(4-{5-[2-(3-Bromo-phenyl)-ethyl]-3-phenyl-isoxazol-...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(Br)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C30H31BrN2O5/c1-5-36-29(34)24-18(3)32-19(4)25(30(35)37-6-2)27(24)26-23(16-15-20-11-10-14-22(31)17-20)38-33-28(26)21-12-8-7-9-13-21/h7-14,17,24,27H,5-6,15-16H2,1-4H3
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6.90n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079459
PNG
(4-[5-(2-Biphenyl-4-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc(cc2)-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-15-22-13-16-24(17-14-22)23-11-9-8-10-12-23/h8-14,16-17,27,29H,6-7,15,18H2,1-5H3
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8.70n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079464
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-2-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc3ccccc3c2)C(C(=O)OCC)=C(C)N=C1C |c:36,t:33|
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)15-13-20-12-14-21-10-8-9-11-22(21)16-20/h8-12,14,16,25,27H,6-7,13,15H2,1-5H3
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11n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079459
PNG
(4-[5-(2-Biphenyl-4-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc(cc2)-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-15-22-13-16-24(17-14-22)23-11-9-8-10-12-23/h8-14,16-17,27,29H,6-7,15,18H2,1-5H3
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18n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079464
PNG
(2,6-Dimethyl-4-[3-methyl-5-(2-naphthalen-2-yl-ethy...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccc3ccccc3c2)C(C(=O)OCC)=C(C)N=C1C |c:36,t:33|
Show InChI InChI=1S/C29H32N2O5/c1-6-34-28(32)25-17(3)30-18(4)26(29(33)35-7-2)27(25)24-19(5)31-36-23(24)15-13-20-12-14-21-10-8-9-11-22(21)16-20/h8-12,14,16,25,27H,6-7,13,15H2,1-5H3
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20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079462
PNG
(2,6-Dimethyl-4-(3-methyl-5-phenethyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28|
Show InChI InChI=1S/C25H30N2O5/c1-6-30-24(28)21-15(3)26-16(4)22(25(29)31-7-2)23(21)20-17(5)27-32-19(20)14-13-18-11-9-8-10-12-18/h8-12,21,23H,6-7,13-14H2,1-5H3
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23n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079462
PNG
(2,6-Dimethyl-4-(3-methyl-5-phenethyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28|
Show InChI InChI=1S/C25H30N2O5/c1-6-30-24(28)21-15(3)26-16(4)22(25(29)31-7-2)23(21)20-17(5)27-32-19(20)14-13-18-11-9-8-10-12-18/h8-12,21,23H,6-7,13-14H2,1-5H3
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25n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079460
PNG
(4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazo...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:39,t:36|
Show InChI InChI=1S/C31H34N2O6/c1-6-37-30(34)25-19(3)32-20(4)26(31(35)38-7-2)28(25)27-24(17-16-21-12-11-15-23(18-21)36-5)39-33-29(27)22-13-9-8-10-14-22/h8-15,18,25,28H,6-7,16-17H2,1-5H3
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30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079460
PNG
(4-{5-[2-(3-Methoxy-phenyl)-ethyl]-3-phenyl-isoxazo...)
Show SMILES CCOC(=O)C1C(c2c(CCc3cccc(OC)c3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:39,t:36|
Show InChI InChI=1S/C31H34N2O6/c1-6-37-30(34)25-19(3)32-20(4)26(31(35)38-7-2)28(25)27-24(17-16-21-12-11-15-23(18-21)36-5)39-33-29(27)22-13-9-8-10-14-22/h8-15,18,25,28H,6-7,16-17H2,1-5H3
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40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079465
PNG
(4-[5-(2-Biphenyl-2-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-17-23-15-11-12-16-24(23)22-13-9-8-10-14-22/h8-16,27,29H,6-7,17-18H2,1-5H3
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46n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50079461
PNG
(2,6-Dimethyl-4-(5-phenethyl-3-phenyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(CCc3ccccc3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:37,t:34|
Show InChI InChI=1S/C30H32N2O5/c1-5-35-29(33)24-19(3)31-20(4)25(30(34)36-6-2)27(24)26-23(18-17-21-13-9-7-10-14-21)37-32-28(26)22-15-11-8-12-16-22/h7-16,24,27H,5-6,17-18H2,1-4H3
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55n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079461
PNG
(2,6-Dimethyl-4-(5-phenethyl-3-phenyl-isoxazol-4-yl...)
Show SMILES CCOC(=O)C1C(c2c(CCc3ccccc3)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:37,t:34|
Show InChI InChI=1S/C30H32N2O5/c1-5-35-29(33)24-19(3)31-20(4)25(30(34)36-6-2)27(24)26-23(18-17-21-13-9-7-10-14-21)37-32-28(26)22-15-11-8-12-16-22/h7-16,24,27H,5-6,17-18H2,1-4H3
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73n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM50079465
PNG
(4-[5-(2-Biphenyl-2-yl-ethyl)-3-methyl-isoxazol-4-y...)
Show SMILES CCOC(=O)C1C(c2c(C)noc2CCc2ccccc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:38,t:35|
Show InChI InChI=1S/C31H34N2O5/c1-6-36-30(34)27-19(3)32-20(4)28(31(35)37-7-2)29(27)26-21(5)33-38-25(26)18-17-23-15-11-12-16-24(23)22-13-9-8-10-14-22/h8-16,27,29H,6-7,17-18H2,1-5H3
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91n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig cardiac membranes.


J Med Chem 42: 3087-93 (1999)


Article DOI: 10.1021/jm980439q
BindingDB Entry DOI: 10.7270/Q20C4TZD
More data for this
Ligand-Target Pair