Found 7 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1S' and Ligand = 'BDBM50004704' 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-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibitory constant against calcium channel receptors (CCRs) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80337-1 BindingDB Entry DOI: 10.7270/Q2F47RV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bologna
Curated by ChEMBL
| Assay Description Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting |
J Med Chem 52: 2352-62 (2009)
Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Homo sapiens (Human)) | BDBM50004704
((+)-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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| PDB Article
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-diltiazem from L-type calcium channel of guinea pig striated muscle |
Bioorg Med Chem Lett 3: 2797-2800 (1993)
Article DOI: 10.1016/S0960-894X(01)80767-8 BindingDB Entry DOI: 10.7270/Q2FN164V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]nitrendipine from calcium channel receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2F47RB8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]nitrendipine from calcium channel receptors (CCRs) |
Citation and Details
Article DOI: 10.1016/S0960-894X(01)80337-1 BindingDB Entry DOI: 10.7270/Q2F47RV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Rattus norvegicus) | BDBM50004704
((+)-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 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bologna
Curated by ChEMBL
| Assay Description Inhibition of L-type calcium channel in Wistar rat tail artery smooth muscle cells assessed as blockade of barium-sensitive inward rectifying current... |
J Med Chem 52: 2352-62 (2009)
Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |