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Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'rutledge' and Initial = 'a'   
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
Calcium channel


(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-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 |c:7,12|
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2.20n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


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 |c:11,16|
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2.40n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


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 |c:13,t:10|
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)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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
Calcium channel


(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
Calcium channel (Type L)


(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
Calcium channel


(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
Calcium channel


(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-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 |c:13,18|
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14n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


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 |c:17,22|
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16n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


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 |c:28,t:25|
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)


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 |c:15,20|
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17n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


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 |c:24,t:21|
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)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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
Calcium channel (Type L)


(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
Calcium channel (Type L)


(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
Calcium channel


(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
Calcium channel


(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
Calcium channel (Type L)


(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
Calcium channel


(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
Calcium channel


(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
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 |c:32,t:29|
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)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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-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 |c:21,26|
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87n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL




J Med Chem 36: 3743-5 (1994)


BindingDB Entry DOI: 10.7270/Q2C24X29
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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
Calcium channel


(RAT)
BDBM50369575
PNG
(CHEMBL609701)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCCCCCC[N+](C)(C)C |w:21.23,c:4,t:7|
Show InChI InChI=1S/C27H39N3O6/c1-19-23(26(31)35-6)25(21-14-13-15-22(18-21)29(33)34)24(20(2)28-19)27(32)36-17-12-10-8-7-9-11-16-30(3,4)5/h13-15,18,25H,7-12,16-17H2,1-6H3/p+1
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99n/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 calcium channels of rat heart membranes.


J Med Chem 43: 2906-14 (2000)


BindingDB Entry DOI: 10.7270/Q2S75H25
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 |c:22,t:19|
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)


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 |c:26,t:23|
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)


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


(RAT)
BDBM50369576
PNG
(CHEMBL609700)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)=C([O-])OCC[N+](C)(C)C |w:21.23,c:4,t:7|
Show InChI InChI=1S/C21H27N3O6/c1-13-17(20(25)29-6)19(15-8-7-9-16(12-15)23(27)28)18(14(2)22-13)21(26)30-11-10-24(3,4)5/h7-9,12,19H,10-11H2,1-6H3/p+1
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1.51E+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 calcium channels of rat heart membranes.


J Med Chem 43: 2906-14 (2000)


BindingDB Entry DOI: 10.7270/Q2S75H25
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 |c:18,t:15|
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)


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


(Homo sapiens (Human))
BDBM50227255
PNG
(CHEMBL102907)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16,t:13|
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n/an/a 0.00810n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227261
PNG
(CHEMBL317044)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)C#N |c:16,t:13|
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n/an/a 0.0130n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227259
PNG
(CHEMBL441428)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:16,t:13|
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n/an/a 0.0150n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227256
PNG
(CHEMBL103806)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F |c:16,t:13|
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n/an/a 0.0270n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227257
PNG
(CHEMBL321999)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)C(F)(F)F |c:16,t:13|
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n/an/a 0.140n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227262
PNG
(CHEMBL105444)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1 |c:16,t:13|
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n/an/a 0.25n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227260
PNG
(CHEMBL319033)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccc(F)cc1 |c:16,t:13|
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n/an/a 1.5n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227258
PNG
(CHEMBL102498)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(OC)c1 |c:16,t:13|
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n/an/a 2.30n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227254
PNG
(CHEMBL318521)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccc(Cl)cc1 |c:16,t:13|
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n/an/a 2.80n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL




J Med Chem 31: 300-5 (1988)

More data for this
Ligand-Target Pair