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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50036185   
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-gated L-type calcium channel


(RAT)
BDBM50231571
PNG
(CHEMBL3350845)
Show SMILES CCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C21H24F3NO4/c1-5-6-11-29-20(27)17-13(3)25-12(2)16(19(26)28-4)18(17)14-9-7-8-10-15(14)21(22,23)24/h7-10,18,25H,5-6,11H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231574
PNG
(CHEMBL3350842)
Show SMILES CCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C25H32F3NO4/c1-5-6-7-8-9-12-15-33-24(31)21-17(3)29-16(2)20(23(30)32-4)22(21)18-13-10-11-14-19(18)25(26,27)28/h10-11,13-14,22,29H,5-9,12,15H2,1-4H3
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2.40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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3.5n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231573
PNG
(CHEMBL3350846)
Show SMILES CCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C27H36F3NO4/c1-5-6-7-8-9-10-11-14-17-35-26(33)23-19(3)31-18(2)22(25(32)34-4)24(23)20-15-12-13-16-21(20)27(28,29)30/h12-13,15-16,24,31H,5-11,14,17H2,1-4H3
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14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231570
PNG
(CHEMBL3350843)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C31H44F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)27-23(3)35-22(2)26(29(36)38-4)28(27)24-19-16-17-20-25(24)31(32,33)34/h16-17,19-20,28,35H,5-15,18,21H2,1-4H3
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16n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231572
PNG
(CHEMBL3350844)
Show SMILES CCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C29H40F3NO4/c1-5-6-7-8-9-10-11-12-13-16-19-37-28(35)25-21(3)33-20(2)24(27(34)36-4)26(25)22-17-14-15-18-23(22)29(30,31)32/h14-15,17-18,26,33H,5-13,16,19H2,1-4H3
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042750
PNG
(CHEMBL410937 | {8-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H40F3N2O4/c1-19-23(26(34)36-6)25(21-15-11-12-16-22(21)28(29,30)31)24(20(2)32-19)27(35)37-18-14-10-8-7-9-13-17-33(3,4)5/h11-12,15-16,23,25H,7-10,13-14,17-18H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042752
PNG
(CHEMBL122740 | {12-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H48F3N2O4/c1-23-27(30(38)40-6)29(25-19-15-16-20-26(25)32(33,34)35)28(24(2)36-23)31(39)41-22-18-14-12-10-8-7-9-11-13-17-21-37(3,4)5/h15-16,19-20,27,29H,7-14,17-18,21-22H2,1-6H3/q+1
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042751
PNG
(CHEMBL125814 | {16-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C36H56F3N2O4/c1-27-31(34(42)44-6)33(29-23-19-20-24-30(29)36(37,38)39)32(28(2)40-27)35(43)45-26-22-18-16-14-12-10-8-7-9-11-13-15-17-21-25-41(3,4)5/h19-20,23-24,31,33H,7-18,21-22,25-26H2,1-6H3/q+1
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64n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50231575
PNG
(CHEMBL3350841)
Show SMILES CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C35H52F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-43-34(41)31-27(3)39-26(2)30(33(40)42-4)32(31)28-23-20-21-24-29(28)35(36,37)38/h20-21,23-24,32,39H,5-19,22,25H2,1-4H3
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87n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042755
PNG
(CHEMBL331446 | {6-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H36F3N2O4/c1-17-21(24(32)34-6)23(19-13-9-10-14-20(19)26(27,28)29)22(18(2)30-17)25(33)35-16-12-8-7-11-15-31(3,4)5/h9-10,13-14,21,23H,7-8,11-12,15-16H2,1-6H3/q+1
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234n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042757
PNG
(CHEMBL125651 | {10-[5-Methoxycarbonyl-2,6-dimethyl...)
Show SMILES COC(=O)C1C(C(C(=O)OCCCCCCCCCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H44F3N2O4/c1-21-25(28(36)38-6)27(23-17-13-14-18-24(23)30(31,32)33)26(22(2)34-21)29(37)39-20-16-12-10-8-7-9-11-15-19-35(3,4)5/h13-14,17-18,25,27H,7-12,15-16,19-20H2,1-6H3/q+1
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1.17E+3n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50042749
PNG
(CHEMBL122220 | {2-[5-Methoxycarbonyl-2,6-dimethyl-...)
Show SMILES COC(=O)C1C(C(C(=O)OCC[N+](C)(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H28F3N2O4/c1-13-17(20(28)30-6)19(15-9-7-8-10-16(15)22(23,24)25)18(14(2)26-13)21(29)31-12-11-27(3,4)5/h7-10,17,19H,11-12H2,1-6H3/q+1
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3.32E+3n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes


J Med Chem 36: 3743-5 (1994)


Article DOI: 10.1021/jm00075a034
BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair