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PubMed code 1311765

Compile data set for download or QSAR
Found 38 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 L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000361
PNG
(4-(3,4-Dimethoxy-phenyl)-1-(2-dimethylamino-ethyl)...)
Show SMILES COc1ccc(cc1OC)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O3/c1-15-17(16-9-10-21(31-4)22(13-16)32-5)14-18-19(24(25,26)27)7-6-8-20(18)29(23(15)30)12-11-28(2)3/h6-10,13,15,17H,11-12,14H2,1-5H3/t15-,17-/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000389
PNG
(1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-m...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C23H27F3N2O2/c1-15-18(16-8-10-17(30-4)11-9-16)14-19-20(23(24,25)26)6-5-7-21(19)28(22(15)29)13-12-27(2)3/h5-11,15,18H,12-14H2,1-4H3/t15-,18-/m1/s1
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n/an/an/a 75n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000376
PNG
(1-(2-Dimethylamino-ethyl)-3-ethyl-4-(4-methoxy-phe...)
Show SMILES CC[C@@H]1[C@@H](Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H29F3N2O2/c1-5-18-19(16-9-11-17(31-4)12-10-16)15-20-21(24(25,26)27)7-6-8-22(20)29(23(18)30)14-13-28(2)3/h6-12,18-19H,5,13-15H2,1-4H3/t18-,19+/m1/s1
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n/an/an/a 600n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000388
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-{2-[methyl-(4-p...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)CCCCc2ccccc2)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C33H37F3N2O4/c1-23(39)42-31-27(25-15-17-26(41-3)18-16-25)22-28-29(33(34,35)36)13-9-14-30(28)38(32(31)40)21-20-37(2)19-8-7-12-24-10-5-4-6-11-24/h4-6,9-11,13-18,27,31H,7-8,12,19-22H2,1-3H3/t27-,31+/m0/s1
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n/an/an/a 220n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000337
PNG
(1-(2-Dimethylamino-ethyl)-4-(4-ethyl-phenyl)-3-met...)
Show SMILES CCc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O/c1-5-17-9-11-18(12-10-17)19-15-20-21(24(25,26)27)7-6-8-22(20)29(14-13-28(3)4)23(30)16(19)2/h6-12,16,19H,5,13-15H2,1-4H3/t16-,19-/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000345
PNG
(1-(2-Dimethylamino-propyl)-4-(4-methoxy-phenyl)-3-...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CC(C)N(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O2/c1-15(28(3)4)14-29-22-8-6-7-21(24(25,26)27)20(22)13-19(16(2)23(29)30)17-9-11-18(31-5)12-10-17/h6-12,15-16,19H,13-14H2,1-5H3/t15?,16-,19-/m1/s1
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n/an/an/a 320n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000340
PNG
(7-Bromo-1-(2-dimethylamino-ethyl)-6-methoxy-4-(4-m...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(OC)c(Br)ccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C23H29BrN2O3/c1-15-18(16-6-8-17(28-4)9-7-16)14-19-21(11-10-20(24)22(19)29-5)26(23(15)27)13-12-25(2)3/h6-11,15,18H,12-14H2,1-5H3/t15-,18-/m1/s1
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n/an/an/a 120n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000372
PNG
(1-(2-Dimethylamino-ethyl)-3-hydroxy-4-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1O
Show InChI InChI=1S/C22H25F3N2O3/c1-26(2)11-12-27-19-6-4-5-18(22(23,24)25)17(19)13-16(20(28)21(27)29)14-7-9-15(30-3)10-8-14/h4-10,16,20,28H,11-13H2,1-3H3/t16-,20+/m0/s1
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n/an/an/a 660n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000383
PNG
((3R,4R)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1
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n/an/an/a 650n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000398
PNG
(3-Acetoxy-1-(2-dimethylamino-ethyl)-4-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(=O)OCc2ccccc2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C31H34N2O6/c1-21(34)39-29-26(23-13-15-24(37-4)16-14-23)19-27-25(31(36)38-20-22-9-6-5-7-10-22)11-8-12-28(27)33(30(29)35)18-17-32(2)3/h5-16,26,29H,17-20H2,1-4H3/t26-,29+/m0/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000343
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-methylcarbamoyl...)
Show SMILES CNC(=O)CN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O5/c1-13(29)33-21-16(14-7-9-15(32-3)10-8-14)11-17-18(23(24,25)26)5-4-6-19(17)28(22(21)31)12-20(30)27-2/h4-10,16,21H,11-12H2,1-3H3,(H,27,30)/t16-,21+/m0/s1
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n/an/an/a 1.50E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000346
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-[2-(methyl-prop...)
Show SMILES CCCN(C)CCN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N2O4/c1-5-13-30(3)14-15-31-23-8-6-7-22(26(27,28)29)21(23)16-20(24(25(31)33)35-17(2)32)18-9-11-19(34-4)12-10-18/h6-12,20,24H,5,13-16H2,1-4H3/t20-,24+/m0/s1
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n/an/an/a 520n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000373
PNG
(Acetic acid 1-[2-(allyl-methyl-amino)-ethyl]-4-(4-...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)CC=C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H29F3N2O4/c1-5-13-30(3)14-15-31-23-8-6-7-22(26(27,28)29)21(23)16-20(24(25(31)33)35-17(2)32)18-9-11-19(34-4)12-10-18/h5-12,20,24H,1,13-16H2,2-4H3/t20-,24+/m0/s1
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n/an/an/a 420n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000378
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-[2-(methyl-prop...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)CC#C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C26H27F3N2O4/c1-5-13-30(3)14-15-31-23-8-6-7-22(26(27,28)29)21(23)16-20(24(25(31)33)35-17(2)32)18-9-11-19(34-4)12-10-18/h1,6-12,20,24H,13-16H2,2-4H3/t20-,24+/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000359
PNG
(1-(2-Dimethylamino-1-methyl-ethyl)-4-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(C(C)CN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O2/c1-15(14-28(3)4)29-22-8-6-7-21(24(25,26)27)20(22)13-19(16(2)23(29)30)17-9-11-18(31-5)12-10-17/h6-12,15-16,19H,13-14H2,1-5H3/t15?,16-,19-/m1/s1
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n/an/an/a 540n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000353
PNG
(3-Allyl-1-(2-dimethylamino-ethyl)-4-(4-methoxy-phe...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1CC=C
Show InChI InChI=1S/C24H30N2O2/c1-5-8-21-22(18-11-13-20(28-4)14-12-18)17-19-9-6-7-10-23(19)26(24(21)27)16-15-25(2)3/h5-7,9-14,21-22H,1,8,15-17H2,2-4H3/t21-,22+/m1/s1
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n/an/an/a 52n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000339
PNG
(Acetic acid 4-[4-(2-methoxy-ethoxy)-phenyl]-1-(2-m...)
Show SMILES CNCCN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OCCOC)cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O5/c1-16(31)35-23-19(17-7-9-18(10-8-17)34-14-13-33-3)15-20-21(25(26,27)28)5-4-6-22(20)30(24(23)32)12-11-29-2/h4-10,19,23,29H,11-15H2,1-3H3/t19-,23+/m0/s1
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n/an/an/a 5.80E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000341
PNG
(1-(2-Dimethylamino-ethyl)-6-methoxy-4-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(OC)cccc2N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C23H30N2O3/c1-16-19(17-9-11-18(27-4)12-10-17)15-20-21(7-6-8-22(20)28-5)25(23(16)26)14-13-24(2)3/h6-12,16,19H,13-15H2,1-5H3/t16-,19-/m1/s1
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n/an/an/a 400n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000342
PNG
(Acetic acid 7-chloro-1-(2-dimethylamino-ethyl)-4-(...)
Show SMILES COc1ccccc1[C@@H]1Cc2cc(Cl)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H27ClN2O4/c1-15(27)30-22-19(18-7-5-6-8-21(18)29-4)14-16-13-17(24)9-10-20(16)26(23(22)28)12-11-25(2)3/h5-10,13,19,22H,11-12,14H2,1-4H3/t19-,22+/m0/s1
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n/an/an/a 5.80E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000351
PNG
(CHEMBL352750 | {2-[4-(4-Methoxy-phenyl)-3-methyl-2...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CC[N+](C)(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H30F3N2O2/c1-16-19(17-9-11-18(31-5)12-10-17)15-20-21(24(25,26)27)7-6-8-22(20)28(23(16)30)13-14-29(2,3)4/h6-12,16,19H,13-15H2,1-5H3/q+1/t16-,19-/m1/s1
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n/an/an/a 840n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000358
PNG
(Acetic acid 7-chloro-1-(2-dimethylamino-ethyl)-4-(...)
Show SMILES COc1cccc(c1)[C@@H]1Cc2cc(Cl)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H27ClN2O4/c1-15(27)30-22-20(16-6-5-7-19(13-16)29-4)14-17-12-18(24)8-9-21(17)26(23(22)28)11-10-25(2)3/h5-9,12-13,20,22H,10-11,14H2,1-4H3/t20-,22+/m0/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000359
PNG
(1-(2-Dimethylamino-1-methyl-ethyl)-4-(4-methoxy-ph...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(C(C)CN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C24H29F3N2O2/c1-15(14-28(3)4)29-22-8-6-7-21(24(25,26)27)20(22)13-19(16(2)23(29)30)17-9-11-18(31-5)12-10-17/h6-12,15-16,19H,13-14H2,1-5H3/t15?,16-,19-/m1/s1
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n/an/an/a 540n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000369
PNG
(Acetic acid 1-(2-dimethylamino-ethyl)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H28N2O4/c1-16(26)29-22-20(17-9-11-19(28-4)12-10-17)15-18-7-5-6-8-21(18)25(23(22)27)14-13-24(2)3/h5-12,20,22H,13-15H2,1-4H3/t20-,22+/m0/s1
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n/an/an/a 5.10E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000379
PNG
(1-[2-(Isopropyl-methyl-amino)-ethyl]-4-(4-methoxy-...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C25H31F3N2O2/c1-16(2)29(4)13-14-30-23-8-6-7-22(25(26,27)28)21(23)15-20(17(3)24(30)31)18-9-11-19(32-5)12-10-18/h6-12,16-17,20H,13-15H2,1-5H3/t17-,20-/m1/s1
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n/an/an/a 130n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000363
PNG
(1-(2-Dimethylamino-ethyl)-3-methyl-4-(4-methylsulf...)
Show SMILES CSc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C23H27F3N2OS/c1-15-18(16-8-10-17(30-4)11-9-16)14-19-20(23(24,25)26)6-5-7-21(19)28(22(15)29)13-12-27(2)3/h5-11,15,18H,12-14H2,1-4H3/t15-,18-/m1/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000374
PNG
(Acetic acid 7-bromo-1-(2-dimethylamino-ethyl)-6-me...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(OC)c(Br)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C24H29BrN2O5/c1-15(28)32-23-18(16-6-8-17(30-4)9-7-16)14-19-21(11-10-20(25)22(19)31-5)27(24(23)29)13-12-26(2)3/h6-11,18,23H,12-14H2,1-5H3/t18-,23+/m0/s1
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n/an/an/a 120n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000367
PNG
(CHEMBL165445 | N-{2-[3-Hydroxy-4-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C(C)=O)C(=O)[C@@H]1O
Show InChI InChI=1S/C23H25F3N2O4/c1-14(29)27(2)11-12-28-20-6-4-5-19(23(24,25)26)18(20)13-17(21(30)22(28)31)15-7-9-16(32-3)10-8-15/h4-10,17,21,30H,11-13H2,1-3H3/t17-,21+/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000387
PNG
(Acetic acid 4-(4-methoxy-phenyl)-1-(2-methylamino-...)
Show SMILES CNCCN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OC)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2O4/c1-14(29)32-21-17(15-7-9-16(31-3)10-8-15)13-18-19(23(24,25)26)5-4-6-20(18)28(22(21)30)12-11-27-2/h4-10,17,21,27H,11-13H2,1-3H3/t17-,21+/m0/s1
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n/an/an/a 160n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000362
PNG
(Acetic acid 1-(2-dimethylamino-ethyl)-4-(4-methoxy...)
Show SMILES CNC(=O)Oc1ccc2N(CCN(C)C)C(=O)[C@H](OC(C)=O)[C@@H](Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H31N3O6/c1-16(29)33-23-21(17-6-8-19(32-5)9-7-17)15-18-14-20(34-25(31)26-2)10-11-22(18)28(24(23)30)13-12-27(3)4/h6-11,14,21,23H,12-13,15H2,1-5H3,(H,26,31)/t21-,23+/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000350
PNG
(3-Acetoxy-1-(2-dimethylamino-ethyl)-4-(4-methoxy-p...)
Show SMILES CCOC(=O)c1cccc2N(CCN(C)C)C(=O)[C@H](OC(C)=O)[C@@H](Cc12)c1ccc(OC)cc1
Show InChI InChI=1S/C26H32N2O6/c1-6-33-26(31)20-8-7-9-23-22(20)16-21(18-10-12-19(32-5)13-11-18)24(34-17(2)29)25(30)28(23)15-14-27(3)4/h7-13,21,24H,6,14-16H2,1-5H3/t21-,24+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000384
PNG
(Acetic acid 1-(2-dimethylamino-ethyl)-6-methoxy-4-...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(OC)cccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C24H30N2O5/c1-16(27)31-23-19(17-9-11-18(29-4)12-10-17)15-20-21(7-6-8-22(20)30-5)26(24(23)28)14-13-25(2)3/h6-12,19,23H,13-15H2,1-5H3/t19-,23+/m0/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000366
PNG
(Acetic acid 1-(2-amino-ethyl)-4-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C22H23F3N2O4/c1-13(28)31-20-16(14-6-8-15(30-2)9-7-14)12-17-18(22(23,24)25)4-3-5-19(17)27(11-10-26)21(20)29/h3-9,16,20H,10-12,26H2,1-2H3/t16-,20+/m0/s1
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n/an/an/a 120n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000380
PNG
(Acetic acid 1-(2-dimethylamino-ethyl)-7-methoxy-4-...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C24H30N2O5/c1-16(27)31-23-21(17-6-8-19(29-4)9-7-17)15-18-14-20(30-5)10-11-22(18)26(24(23)28)13-12-25(2)3/h6-11,14,21,23H,12-13,15H2,1-5H3/t21-,23+/m0/s1
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n/an/an/a 1.60E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000338
PNG
(1-(2-Dimethylamino-ethyl)-3-methyl-4-(4-methylamin...)
Show SMILES CNc1ccc(cc1)[C@@H]1Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]1C
Show InChI InChI=1S/C23H28F3N3O/c1-15-18(16-8-10-17(27-2)11-9-16)14-19-20(23(24,25)26)6-5-7-21(19)29(22(15)30)13-12-28(3)4/h5-11,15,18,27H,12-14H2,1-4H3/t15-,18-/m1/s1
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n/an/an/a 570n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000344
PNG
(Acetic acid 4-(4-methoxymethoxy-phenyl)-1-(2-methy...)
Show SMILES CNCCN1c2cccc(c2C[C@H]([C@@H](OC(C)=O)C1=O)c1ccc(OCOC)cc1)C(F)(F)F
Show InChI InChI=1S/C24H27F3N2O5/c1-15(30)34-22-18(16-7-9-17(10-8-16)33-14-32-3)13-19-20(24(25,26)27)5-4-6-21(19)29(23(22)31)12-11-28-2/h4-10,18,22,28H,11-14H2,1-3H3/t18-,22+/m0/s1
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n/an/an/a 1.55E+5n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000357
PNG
(Acetic acid 7-chloro-1-(2-dimethylamino-ethyl)-4-(...)
Show SMILES COc1ccc(cc1)[C@@H]1Cc2cc(Cl)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C23H27ClN2O4/c1-15(27)30-22-20(16-5-8-19(29-4)9-6-16)14-17-13-18(24)7-10-21(17)26(23(22)28)12-11-25(2)3/h5-10,13,20,22H,11-12,14H2,1-4H3/t20-,22+/m0/s1
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n/an/an/a 1.40E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000355
PNG
(1-(2-Dimethylamino-ethyl)-4-(4-hydroxy-phenyl)-3-m...)
Show SMILES C[C@@H]1[C@@H](Cc2c(cccc2C(F)(F)F)N(CCN(C)C)C1=O)c1ccc(O)cc1
Show InChI InChI=1S/C22H25F3N2O2/c1-14-17(15-7-9-16(28)10-8-15)13-18-19(22(23,24)25)5-4-6-20(18)27(21(14)29)12-11-26(2)3/h4-10,14,17,28H,11-13H2,1-3H3/t14-,17-/m1/s1
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n/an/an/a 1.60E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Homo sapiens (Human))		BDBM50000365
PNG
(1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-p...)
Show SMILES CCC[C@@H]1[C@@H](Cc2ccccc2N(CCN(C)C)C1=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H32N2O2/c1-5-8-21-22(18-11-13-20(28-4)14-12-18)17-19-9-6-7-10-23(19)26(24(21)27)16-15-25(2)3/h6-7,9-14,21-22H,5,8,15-17H2,1-4H3/t21-,22+/m1/s1
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n/an/an/a 250n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace the specific binding of [3H]-diltiazem to diltiazem receptor in guinea pig skeletal muscle.

J Med Chem 35: 780-93 (1992)


BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%