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Compile Data Set for Download or QSAR

Found 24 hits of kd for UniProtKB: Q13936   
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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016385
PNG
(4-Methyl-2-(3-nitro-phenyl)-2,5-dihydro-benzo[b][1...)
Show SMILES COC(=[OH+])C1=C(C)[N-]c2ccccc2SC1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H16N2O4S/c1-11-16(18(21)24-2)17(12-6-5-7-13(10-12)20(22)23)25-15-9-4-3-8-14(15)19-11/h3-10,17H,1-2H3,(H,19,21)
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n/an/an/a 360n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nitrendipine binding to calcium channels of guinea pig myocardium


J Med Chem 30: 635-40 (1987)


Article DOI: 10.1021/jm00387a009
BindingDB Entry DOI: 10.7270/Q25B01G9
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50016388
PNG
(5-(2-Dimethylamino-ethyl)-4-methyl-2-(3-nitro-phen...)
Show SMILES COC(=O)C1=C(C)N(CCN(C)C)c2ccccc2SC1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H25N3O4S/c1-15-20(22(26)29-4)21(16-8-7-9-17(14-16)25(27)28)30-19-11-6-5-10-18(19)24(15)13-12-23(2)3/h5-11,14,21H,12-13H2,1-4H3
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n/an/an/a 488n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nitrendipine binding to calcium channels of guinea pig myocardium


J Med Chem 30: 635-40 (1987)


Article DOI: 10.1021/jm00387a009
BindingDB Entry DOI: 10.7270/Q25B01G9
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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n/an/an/a 0.260n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035793
PNG
(6-Methyl-2-methylsulfanyl-4-(2-methylsulfanyl-phen...)
Show SMILES COC(=O)C1C(N=C(SC)N=C1C)c1ccccc1SC
Show InChI InChI=1S/C15H18N2O2S2/c1-9-12(14(18)19-2)13(17-15(16-9)21-4)10-7-5-6-8-11(10)20-3/h5-8,12-13H,1-4H3
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n/an/an/a 1.52E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035794
PNG
(4-Methyl-2-methylsulfanyl-13-nitro-3,8,9,10,11,16b...)
Show SMILES CSC1=NC(C)=C2C([N-]1)c1cccc(c1SCCCCCOC2=[OH+])[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O4S2/c1-11-14-15(20-18(19-11)26-2)12-7-6-8-13(21(23)24)16(12)27-10-5-3-4-9-25-17(14)22/h6-8,15H,3-5,9-10H2,1-2H3,(H,19,20,22)
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n/an/an/a 5n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035796
PNG
(2-Methylsulfanyl-4-(3-nitro-phenyl)-4,7-dihydro-1H...)
Show SMILES CSC1=NC(C2=C(COC2=[OH+])[N-]1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4S/c1-21-13-14-9-6-20-12(17)10(9)11(15-13)7-3-2-4-8(5-7)16(18)19/h2-5,11H,6H2,1H3,(H,14,15,17)
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n/an/an/a 3.69E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035798
PNG
(4-(2-Butylsulfanyl-phenyl)-2-methylsulfanyl-4,7-di...)
Show SMILES CCCCSc1ccccc1C1N=C(Nc2coc(O)c12)SC
Show InChI InChI=1S/C17H20N2O2S2/c1-3-4-9-23-13-8-6-5-7-11(13)15-14-12(10-21-16(14)20)18-17(19-15)22-2/h5-8,10,15,20H,3-4,9H2,1-2H3,(H,18,19)
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n/an/an/a>5.00E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035797
PNG
(4-Methyl-2-methylsulfanyl-15-nitro-3,8,9,10,11,16b...)
Show SMILES CSC1=NC2C(=C(C)[N-]1)C(=[OH+])OCCCCCSc1ccc(cc21)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O4S2/c1-11-15-16(20-18(19-11)26-2)13-10-12(21(23)24)6-7-14(13)27-9-5-3-4-8-25-17(15)22/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,19,20,22)
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n/an/an/a 873n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035801
PNG
(2-Methylsulfanyl-4-(2-methylsulfanyl-5-nitro-pheny...)
Show SMILES CSC1=NC(C2=C(COC2=[OH+])[N-]1)c1cc(ccc1SC)[N+]([O-])=O
Show InChI InChI=1S/C14H13N3O4S2/c1-22-10-4-3-7(17(19)20)5-8(10)12-11-9(6-21-13(11)18)15-14(16-12)23-2/h3-5,12H,6H2,1-2H3,(H,15,16,18)
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n/an/an/a>5.00E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035799
PNG
(2-Methylsulfanyl-4-(2-methylsulfanyl-3-nitro-pheny...)
Show SMILES CSC1=NC2=C(C([N-]1)c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OC2
Show InChI InChI=1S/C14H13N3O4S2/c1-22-12-7(4-3-5-9(12)17(19)20)11-10-8(6-21-13(10)18)15-14(16-11)23-2/h3-5,11H,6H2,1-2H3,(H,15,16,18)
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n/an/an/a 1.37E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035790
PNG
(6-Methyl-2-methylsulfanyl-4-(2-methylsulfanyl-3-ni...)
Show SMILES COC(=O)C1=C(C)[N-]C(SC)=[NH+]C1c1cccc(c1SC)[N+]([O-])=O
Show InChI InChI=1S/C15H17N3O4S2/c1-8-11(14(19)22-2)12(17-15(16-8)24-4)9-6-5-7-10(18(20)21)13(9)23-3/h5-7,12H,1-4H3,(H,16,17,19)
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n/an/an/a 30n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035802
PNG
(6-Methyl-2-methylsulfanyl-4-(2-methylsulfanyl-5-ni...)
Show SMILES COC(=O)C1C(N=C(SC)N=C1C)c1cc(ccc1SC)[N+]([O-])=O
Show InChI InChI=1S/C15H17N3O4S2/c1-8-12(14(19)22-2)13(17-15(16-8)24-4)10-7-9(18(20)21)5-6-11(10)23-3/h5-7,12-13H,1-4H3
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n/an/an/a 2.70E+3n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035800
PNG
((S)-2,6-Dimethyl-5-nitro-4-(2-trifluoromethyl-phen...)
Show SMILES COC(=[OH+])C1=C(C)[N-]C(C)=C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13H,1-3H3,(H,20,22)
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n/an/an/a 18n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035791
PNG
(2-Methylsulfanyl-4-(2-methylsulfanyl-phenyl)-4,7-d...)
Show SMILES CSC1=NC(c2c(N1)coc2O)c1ccccc1SC
Show InChI InChI=1S/C14H14N2O2S2/c1-19-10-6-4-3-5-8(10)12-11-9(7-18-13(11)17)15-14(16-12)20-2/h3-7,12,17H,1-2H3,(H,15,16)
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n/an/an/a 4.52E+4n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035789
PNG
(6-Methyl-2-methylsulfanyl-4-(3-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(N=C(SC)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7,11-12H,1-3H3
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n/an/an/a 480n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50035795
PNG
(4-Methyl-2-methylsulfanyl-3,8,9,10,11,16b-hexahydr...)
Show SMILES CSC1=NC2C(C(C)=N1)C(=O)OCCCCCSc1ccccc21
Show InChI InChI=1S/C18H22N2O2S2/c1-12-15-16(20-18(19-12)23-2)13-8-4-5-9-14(13)24-11-7-3-6-10-22-17(15)21/h4-5,8-9,15-16H,3,6-7,10-11H2,1-2H3
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n/an/an/a 18n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
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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n/an/an/a 0.400n/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes


J Med Chem 38: 119-29 (1995)


Article DOI: 10.1021/jm00001a017
BindingDB Entry DOI: 10.7270/Q2F76D7F
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50226808
PNG
(CHEMBL3392278)
Show SMILES CCOC(=O)C1=C(C)NC(=NC1c1cccc(c1)[N+]([O-])=O)N(C)C
Show InChI InChI=1S/C16H20N4O4/c1-5-24-15(21)13-10(2)17-16(19(3)4)18-14(13)11-7-6-8-12(9-11)20(22)23/h6-9,14H,5H2,1-4H3,(H,17,18)
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n/an/an/a 3.40E+3n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50226760
PNG
(CHEMBL2398396)
Show SMILES CSC1=NC(C(C(=O)OC(C)C)=C(C)N1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H19N3O4S/c1-9(2)23-15(20)13-10(3)17-16(24-4)18-14(13)11-6-5-7-12(8-11)19(21)22/h5-9,14H,1-4H3,(H,17,18)
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n/an/an/a 12n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50227245
PNG
(CHEMBL3392281)
Show SMILES CCC(C)OC(=O)C1=C(C)NC(SC)=NC1c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H21N3O4S/c1-5-10(2)24-16(21)14-11(3)18-17(25-4)19-15(14)12-7-6-8-13(9-12)20(22)23/h6-10,15H,5H2,1-4H3,(H,18,19)
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n/an/an/a 2.60n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50226978
PNG
(CHEMBL282279)
Show SMILES COC(=O)C1=C(C)N=C(NC1c1cccc(c1)[N+]([O-])=O)SC
Show InChI InChI=1S/C14H15N3O4S/c1-8-11(13(18)21-2)12(16-14(15-8)22-3)9-5-4-6-10(7-9)17(19)20/h4-7,12H,1-3H3,(H,15,16)
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n/an/an/a 120n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50226804
PNG
(CHEMBL88149)
Show SMILES CCOC(=O)C1=C(C)N=C(NC1c1cccc(c1)[N+]([O-])=O)OC
Show InChI InChI=1S/C15H17N3O5/c1-4-23-14(19)12-9(2)16-15(22-3)17-13(12)10-6-5-7-11(8-10)18(20)21/h5-8,13H,4H2,1-3H3,(H,16,17)
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n/an/an/a 105n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50226761
PNG
(CHEMBL3392285)
Show SMILES CCOC(=O)C1=C(C)NC(SC)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O2S/c1-4-23-14(22)12-9(2)20-15(24-3)21-13(12)10-7-5-6-8-11(10)16(17,18)19/h5-8,13H,4H2,1-3H3,(H,20,21)
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UniChem

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n/an/an/a 35n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50015432
PNG
(6-Methyl-2-methylsulfanyl-4-(3-nitro-phenyl)-1,4-d...)
Show SMILES CCOC(=O)C1C(N=C(SC)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H17N3O4S/c1-4-22-14(19)12-9(2)16-15(23-3)17-13(12)10-6-5-7-11(8-10)18(20)21/h5-8,12-13H,4H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 23n/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel in guinea pig ventricular myocardium membranes


J Med Chem 33: 1510-5 (1990)


Article DOI: 10.1021/jm00167a035
BindingDB Entry DOI: 10.7270/Q2MW2HR0
More data for this
Ligand-Target Pair