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13 similar compounds to monomer 50000389

Compile data set for download or QSAR
Wt: 418.4
BDBM50000337
Wt: 419.4
BDBM50000338
Wt: 434.4
BDBM50000345
Wt: 435.5
BDBM50000351
Wt: 406.4
BDBM50000355
Wt: 434.4
BDBM50000359
Wt: 450.4
BDBM50000361
Wt: 436.5
BDBM50000363
Wt: 450.4
BDBM50000367
Wt: 422.4
BDBM50000372
Wt: 434.4
BDBM50000376
Wt: 448.5
BDBM50000379
Wt: 352.4
BDBM50000383

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50000337,50000338,50000345,50000351,50000355,50000359,50000361,50000363,50000367,50000372,50000376,50000379,50000383   
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-gated L-type calcium channel


(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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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle


Bioorg Med Chem Lett 3: 2797-2800 (1993)


Article DOI: 10.1016/S0960-894X(01)80767-8
BindingDB Entry DOI: 10.7270/Q2FN164V
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(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 610n/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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(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)


Article DOI: 10.1021/jm00082a020
BindingDB Entry DOI: 10.7270/Q2K64H14
More data for this
Ligand-Target Pair