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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50035666   
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 (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 |c:5,t:8|
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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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016400
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1...)
Show SMILES CCOC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(c1SC)[N+]([O-])=O)C(=[OH+])OCC |c:5,10|
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)15-11(3)21-12(4)16(20(24)28-7-2)17(15)13-9-8-10-14(22(25)26)18(13)29-5/h8-10,17H,6-7H2,1-5H3,(H,21,23,24)
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
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 |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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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452435
PNG
(CHEMBL2110302)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50016398
PNG
(2,6-Dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cc(ccc1SC)[N+]([O-])=O |w:3.3,c:15,t:12|
Show InChI InChI=1S/C20H24N2O6S/c1-6-27-19(23)16-11(3)21-12(4)17(20(24)28-7-2)18(16)14-10-13(22(25)26)8-9-15(14)29-5/h8-10,18,23H,6-7H2,1-5H3
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452433
PNG
(CHEMBL2110168)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15-,19-/m1/s1
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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452434
PNG
(CHEMBL2110303)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11|
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452432
PNG
(CHEMBL2110169)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccc(cc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:12:11:2:23.21.20,15:16:2:23.21.20,24:23:2:16.10.11|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-9-11(21(24)25)7-8-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452430
PNG
(CHEMBL2110298)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16+,19-/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452429
PNG
(CHEMBL2110170)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3ccccc13)N=C(C)\C2=C(\O)OCC |t:19,THB:15:16:2:20.18.17,12:11:2:20.18.17,21:20:2:10.16.11|
Show InChI InChI=1S/C19H23NO4S/c1-5-23-17(21)14-11(3)20-19(4)16(18(22)24-6-2)15(14)12-9-7-8-10-13(12)25-19/h7-10,15-16,21H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452431
PNG
(CHEMBL2110167)
Show SMILES [H][C@@]12[C@H](C(=O)OCC)[C@@](C)(Sc3cc(ccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:24:23:2:10.11.16,12:11:2:23.21.20,15:16:2:23.21.20|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)14-10(3)20-19(4)16(18(23)27-6-2)15(14)12-8-7-11(21(24)25)9-13(12)28-19/h7-9,15-16,22H,5-6H2,1-4H3/b17-14+/t15-,16-,19-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50452436
PNG
(CHEMBL2110301)
Show SMILES [H][C@@]12[C@@H](C(=O)OCC)[C@@](C)(Sc3c(cccc13)[N+]([O-])=O)N=C(C)\C2=C(\O)OCC |t:22,THB:15:16:2:23.21.20,12:11:2:23.21.20,24:23:2:11.10.16|
Show InChI InChI=1S/C19H22N2O6S/c1-5-26-17(22)13-10(3)20-19(4)15(18(23)27-6-2)14(13)11-8-7-9-12(21(24)25)16(11)28-19/h7-9,14-15,22H,5-6H2,1-4H3/b17-13+/t14-,15+,19-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles


J Med Chem 30: 690-5 (1987)


BindingDB Entry DOI: 10.7270/Q2BC404T
More data for this
Ligand-Target Pair