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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50035714   
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-1C


(Oryctolagus cuniculus)		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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n/an/a 1n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50227241
PNG
(CHEMBL1202817)
Show SMILES Cl.CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2ccc(C)nc2n1
Show InChI InChI=1S/C24H34N4O/c1-4-6-14-27(15-7-5-2)16-8-18-29-22-11-9-21(10-12-22)23-19-28-17-13-20(3)25-24(28)26-23/h9-13,17,19H,4-8,14-16,18H2,1-3H3
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n/an/a<1n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367608
PNG
(CHEMBL1202818)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cnc2ccc(Br)cn12
Show InChI InChI=1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-18-27-24-13-10-21(26)19-29(23)24/h8-13,18-19H,3-7,14-17H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367610
PNG
(CHEMBL1202819)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cnc2c(C)cccn12
Show InChI InChI=1S/C26H35N3O2/c1-4-6-15-28(16-7-5-2)17-9-19-31-23-13-11-22(12-14-23)25(30)24-20-27-26-21(3)10-8-18-29(24)26/h8,10-14,18,20H,4-7,9,15-17,19H2,1-3H3
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n/an/a 500n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50022758
PNG
(CHEMBL1204266 | CHEMBL308142 | Dibutyl-{3-[4-(8-me...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2cccc(C)c2n1
Show InChI InChI=1S/C25H35N3O/c1-4-6-15-27(16-7-5-2)17-9-19-29-23-13-11-22(12-14-23)24-20-28-18-8-10-21(3)25(28)26-24/h8,10-14,18,20H,4-7,9,15-17,19H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367622
PNG
(CHEMBL1202823)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2nccnc2n1
Show InChI InChI=1S/C22H31N5O/c1-3-5-14-26(15-6-4-2)16-7-17-28-20-10-8-19(9-11-20)21-18-27-22(25-21)23-12-13-24-27/h8-13,18H,3-7,14-17H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367613
PNG
(CHEMBL1202820)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2nc(C)sc2n1
Show InChI InChI=1S/C22H32N4OS/c1-4-6-13-25(14-7-5-2)15-8-16-27-20-11-9-19(10-12-20)21-17-26-22(23-21)28-18(3)24-26/h9-12,17H,4-8,13-16H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367611
PNG
(CHEMBL1202825)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc2sccn2c1C
Show InChI InChI=1S/C23H33N3OS/c1-4-6-13-25(14-7-5-2)15-8-17-27-21-11-9-20(10-12-21)22-19(3)26-16-18-28-23(26)24-22/h9-12,16,18H,4-8,13-15,17H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367618
PNG
(CHEMBL1202826)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2ccsc2n1
Show InChI InChI=1S/C22H31N3OS/c1-3-5-12-24(13-6-4-2)14-7-16-26-20-10-8-19(9-11-20)21-18-25-15-17-27-22(25)23-21/h8-11,15,17-18H,3-7,12-14,16H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367607
PNG
(CHEMBL1202814)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cn2ccc(C)cc2n1
Show InChI InChI=1S/C26H35N3O2/c1-4-6-14-28(15-7-5-2)16-8-18-31-23-11-9-22(10-12-23)26(30)24-20-29-17-13-21(3)19-25(29)27-24/h9-13,17,19-20H,4-8,14-16,18H2,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50022766
PNG
(CHEMBL1204277 | CHEMBL70946 | {3-[4-(6-Bromo-imida...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C24H32BrN3O/c1-3-5-14-27(15-6-4-2)16-7-17-29-22-11-8-20(9-12-22)23-19-28-18-21(25)10-13-24(28)26-23/h8-13,18-19H,3-7,14-17H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50022764
PNG
(CHEMBL1204272 | CHEMBL71352 | Dibutyl-[3-(4-imidaz...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C24H33N3O/c1-3-5-15-26(16-6-4-2)17-9-19-28-22-13-11-21(12-14-22)23-20-27-18-8-7-10-24(27)25-23/h7-8,10-14,18,20H,3-6,9,15-17,19H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367619
PNG
(CHEMBL1202815)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-19-29-18-21(26)10-13-24(29)27-23/h8-13,18-19H,3-7,14-17H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367606
PNG
(CHEMBL1202824)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2c(n1)sc1ccccc21
Show InChI InChI=1S/C26H33N3OS/c1-3-5-16-28(17-6-4-2)18-9-19-30-22-14-12-21(13-15-22)23-20-29-24-10-7-8-11-25(24)31-26(29)27-23/h7-8,10-15,20H,3-6,9,16-19H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50022761
PNG
(CHEMBL1204265 | CHEMBL71248 | Dibutyl-{3-[4-(7-met...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2ccc(C)cc2n1
Show InChI InChI=1S/C25H35N3O/c1-4-6-14-27(15-7-5-2)16-8-18-29-23-11-9-22(10-12-23)24-20-28-17-13-21(3)19-25(28)26-24/h9-13,17,19-20H,4-8,14-16,18H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367620
PNG
(CHEMBL1202821)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cn2cccc(C)c2n1
Show InChI InChI=1S/C26H35N3O2/c1-4-6-15-28(16-7-5-2)17-9-19-31-23-13-11-22(12-14-23)25(30)24-20-29-18-8-10-21(3)26(29)27-24/h8,10-14,18,20H,4-7,9,15-17,19H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367614
PNG
(CHEMBL1202807)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cnc2nc(C)ccn12
Show InChI InChI=1S/C25H34N4O2/c1-4-6-14-28(15-7-5-2)16-8-18-31-22-11-9-21(10-12-22)24(30)23-19-26-25-27-20(3)13-17-29(23)25/h9-13,17,19H,4-8,14-16,18H2,1-3H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50367616
PNG
(CHEMBL1202813)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1cnc2ncccn12
Show InChI InChI=1S/C24H32N4O2/c1-3-5-14-27(15-6-4-2)16-8-18-30-21-11-9-20(10-12-21)23(29)22-19-26-24-25-13-7-17-28(22)24/h7,9-13,17,19H,3-6,8,14-16,18H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM78577
PNG
(BEPRIDIL HYDROCHLORIDE | Bepridil | MLS000028456 |...)
Show SMILES CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in rabbit cardiac muscle

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)		BDBM50017662
PNG
(2-(Diethylamino)-2',6'-acetoxylidide | 2-(Diethyla...)
Show SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Ortho Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle.

J Med Chem 31: 2221-7 (1988)


BindingDB Entry DOI: 10.7270/Q2T72J19
More data for this
Ligand-Target Pair