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13 similar compounds to monomer 50000344

Compile data set for download or QSAR
Wt: 494.5
BDBM50000339
Wt: 464.4
BDBM50000343
Wt: 492.5
BDBM50000346
Wt: 430.9
BDBM50000357
Wt: 436.4
BDBM50000366
Wt: 450.4
BDBM50000367
Wt: 396.4
BDBM50000369
Wt: 422.4
BDBM50000372
Wt: 490.5
BDBM50000373
Wt: 488.4
BDBM50000378
Wt: 426.5
BDBM50000380
Wt: 450.4
BDBM50000387
Wt: 582.6
BDBM50000388

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50000339,50000343,50000346,50000357,50000366,50000367,50000369,50000372,50000373,50000378,50000380,50000387,50000388   
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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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)


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