Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029079 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
(Homo sapiens (Human)) | BDBM50281270
(Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-8-me...)Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O Show InChI InChI=1S/C23H28N2O5S/c1-15(26)30-21-22(16-6-8-17(28-4)9-7-16)31-20-14-18(29-5)10-11-19(20)25(23(21)27)13-12-24(2)3/h6-11,14,21-22H,12-13H2,1-5H3/t21-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 42 | 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 | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Homo sapiens (Human)) | BDBM50281272
((2R,3S)-5-(2-Dimethylamino-ethyl)-8-methoxy-2-(4-m...)Show SMILES COc1ccc(cc1)[C@@H]1Sc2cc(OC)ccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C22H28N2O3S/c1-15-21(16-6-8-17(26-4)9-7-16)28-20-14-18(27-5)10-11-19(20)24(22(15)25)13-12-23(2)3/h6-11,14-15,21H,12-13H2,1-5H3/t15-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 85 | 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 | |
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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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
(Homo sapiens (Human)) | BDBM50281271
((2R,3S)-5-(2-Dimethylamino-ethyl)-2-(4-methoxy-phe...)Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C21H26N2O2S/c1-15-20(16-9-11-17(25-4)12-10-16)26-19-8-6-5-7-18(19)23(21(15)24)14-13-22(2)3/h5-12,15,20H,13-14H2,1-4H3/t15-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 540 | 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 | |
Voltage-dependent L-type calcium channel subunit alpha-1S
(Homo sapiens (Human)) | BDBM50000383
((3R,4R)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phe...)Show SMILES COc1ccc(cc1)[C@@H]1Cc2ccccc2N(CCN(C)C)C(=O)[C@@H]1C Show InChI InChI=1S/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 650 | 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 | |
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