Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50048846 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50318494
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228791
(CHEMBL329897)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(Cl)c1Cl |c:15| Show InChI InChI=1S/C17H18Cl2N2O4S/c1-4-24-15(22)12-9(3)20-16(26)21(17(23)25-5-2)14(12)10-7-6-8-11(18)13(10)19/h6-8,14,22H,4-5H2,1-3H3/b15-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228797
(CHEMBL89260)Show SMILES CCOC(=O)N1C(\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O |c:15| Show InChI InChI=1S/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228807
(CHEMBL2092901)Show SMILES CCOC(=O)N1[C@@H](\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O |r,c:15| Show InChI InChI=1S/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228801
(CHEMBL89049)Show SMILES CCOC(=O)N1C(C(C(=O)OC(C)C)=C(C)NC1=O)c1cccc(c1)[N+]([O-])=O |t:13| Show InChI InChI=1S/C18H21N3O7/c1-5-27-18(24)20-15(12-7-6-8-13(9-12)21(25)26)14(11(4)19-17(20)23)16(22)28-10(2)3/h6-10,15H,5H2,1-4H3,(H,19,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228811
(CHEMBL84906)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1Cl)[N+]([O-])=O |c:15| Show InChI InChI=1S/C17H18ClN3O6S/c1-4-26-15(22)12-9(3)19-16(28)20(17(23)27-5-2)14(12)10-7-6-8-11(13(10)18)21(24)25/h6-8,14,22H,4-5H2,1-3H3/b15-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228808
(CHEMBL86415)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1[N+]([O-])=O |c:15| Show InChI InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-8-6-7-9-12(11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228810
(CHEMBL89904)Show SMILES CCO\C(O)=C1\C(N(C(=O)OC)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:14| Show InChI InChI=1S/C16H17N3O6S/c1-4-25-14(20)12-9(2)17-15(26)18(16(21)24-3)13(12)10-6-5-7-11(8-10)19(22)23/h5-8,13,20H,4H2,1-3H3/b14-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50227246
(CHEMBL3392282)Show SMILES CCOC(=O)C1=C(C)NC(SCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12| Show InChI InChI=1S/C20H24N2O6S/c1-5-27-19(23)15-12(4)21-18(29-7-3)17(20(24)28-6-2)16(15)13-9-8-10-14(11-13)22(25)26/h8-11,16,21H,5-7H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228804
(CHEMBL89175)Show SMILES CCOC(=O)C1=C(C)N=C(S)N(C1c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 |c:5,t:8| Show InChI InChI=1S/C20H19N3O6S2/c1-3-29-19(24)17-13(2)21-20(30)22(31(27,28)16-10-5-4-6-11-16)18(17)14-8-7-9-15(12-14)23(25)26/h4-12,18H,3H2,1-2H3,(H,21,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228812
(CHEMBL315125)Show SMILES CCO\C(O)=C1\C(N(C(=O)c2ccc(OC)cc2)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:21| Show InChI InChI=1S/C22H21N3O6S/c1-4-31-21(27)18-13(2)23-22(32)24(20(26)14-8-10-17(30-3)11-9-14)19(18)15-6-5-7-16(12-15)25(28)29/h5-12,19,27H,4H2,1-3H3/b21-18+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228796
(CHEMBL330707)Show SMILES CCO\C(O)=C1\C(N(C(=O)OC(C)C)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:16| Show InChI InChI=1S/C18H21N3O6S/c1-5-26-16(22)14-11(4)19-17(28)20(18(23)27-10(2)3)15(14)12-7-6-8-13(9-12)21(24)25/h6-10,15,22H,5H2,1-4H3/b16-14+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228790
(CHEMBL440695)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15| Show InChI InChI=1S/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-7-6-8-12(9-11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228795
(CHEMBL315298)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1Cl |c:15| Show InChI InChI=1S/C17H19ClN2O4S/c1-4-23-15(21)13-10(3)19-16(25)20(17(22)24-5-2)14(13)11-8-6-7-9-12(11)18/h6-9,14,21H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228805
(CHEMBL87921)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1C(F)(F)F |c:15| Show InChI InChI=1S/C18H19F3N2O4S/c1-4-26-15(24)13-10(3)22-16(28)23(17(25)27-5-2)14(13)11-8-6-7-9-12(11)18(19,20)21/h6-9,14,24H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50227344
(CHEMBL3392280)Show SMILES CCOC(=O)C1=C(C)NC(OCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC |c:5,12| Show InChI InChI=1S/C20H24N2O7/c1-5-27-18-17(20(24)29-7-3)16(13-9-8-10-14(11-13)22(25)26)15(12(4)21-18)19(23)28-6-2/h8-11,16,21H,5-7H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228806
(CHEMBL261982)Show SMILES CCCN1C(C(C(=O)OCC)=C(C)N=C1S)c1cccc(c1)[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H21N3O4S/c1-4-9-19-15(12-7-6-8-13(10-12)20(22)23)14(16(21)24-5-2)11(3)18-17(19)25/h6-8,10,15H,4-5,9H2,1-3H3,(H,18,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228799
(CHEMBL313446)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(Cl)c1 |c:15| Show InChI InChI=1S/C17H19ClN2O4S/c1-4-23-15(21)13-10(3)19-16(25)20(17(22)24-5-2)14(13)11-7-6-8-12(18)9-11/h6-9,14,21H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228792
(CHEMBL88191)Show SMILES CCOC(=O)N1C(\C(=C(/O)OC)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O |c:13| Show InChI InChI=1S/C16H17N3O6S/c1-4-25-16(21)18-13(10-6-5-7-11(8-10)19(22)23)12(14(20)24-3)9(2)17-15(18)26/h5-8,13,20H,4H2,1-3H3/b14-12+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50015432
(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 |c:11,t:7| 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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228793
(CHEMBL89174)Show SMILES CCOC(=O)N1C(C(C(=O)OCC)=C(C)NC1=O)c1cccc(c1)[N+]([O-])=O |t:12| Show InChI InChI=1S/C17H19N3O7/c1-4-26-15(21)13-10(3)18-16(22)19(17(23)27-5-2)14(13)11-7-6-8-12(9-11)20(24)25/h6-9,14H,4-5H2,1-3H3,(H,18,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228802
(CHEMBL89256)Show SMILES CCOC(=O)N1C(C(C(=O)OCC)=C(C)N=C1N)c1cccc(c1)[N+]([O-])=O |c:15,t:12| Show InChI InChI=1S/C17H20N4O6/c1-4-26-15(22)13-10(3)19-16(18)20(17(23)27-5-2)14(13)11-7-6-8-12(9-11)21(24)25/h6-9,14H,4-5H2,1-3H3,(H2,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228809
(CHEMBL88449)Show SMILES CCO\C(O)=C1\C(N(C(=O)N(C)C)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O |c:15| Show InChI InChI=1S/C17H20N4O5S/c1-5-26-15(22)13-10(2)18-16(27)20(17(23)19(3)4)14(13)11-7-6-8-12(9-11)21(24)25/h6-9,14,22H,5H2,1-4H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228794
(CHEMBL315839)Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1)C(F)(F)F |c:15| Show InChI InChI=1S/C18H19F3N2O4S/c1-4-26-15(24)13-10(3)22-16(28)23(17(25)27-5-2)14(13)11-7-6-8-12(9-11)18(19,20)21/h6-9,14,24H,4-5H2,1-3H3/b15-13+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50226804
(CHEMBL88149)Show SMILES CCOC(=O)C1=C(C)N=C(NC1c1cccc(c1)[N+]([O-])=O)OC |c:5,8| 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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50228803
(CHEMBL1907867)Show SMILES [H][C@]1(N(C(=O)OCC)C(=S)N=C(C)\C1=C(\O)OC(C)C)c1cccc(c1)[N+]([O-])=O |r,t:10| Show InChI InChI=1S/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Squibb Institute for Medical Research
Curated by ChEMBL
| Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta |
J Med Chem 33: 2629-35 (1990)
BindingDB Entry DOI: 10.7270/Q2XD13XV |
More data for this
Ligand-Target Pair | |
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