Found 12 hits of ki for UniProtKB: Q13698 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50013025
(2,6-Dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1...)Show SMILES CCOC(=O)C1C(c2c(C)onc2-c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:29,t:26| Show InChI InChI=1S/C23H26N2O5/c1-6-28-22(26)17-13(3)24-14(4)18(23(27)29-7-2)20(17)19-15(5)30-25-21(19)16-11-9-8-10-12-16/h8-12,17,20H,6-7H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-PN-200110 binding to Calcium channel in guinea pig heart membrane. |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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)) | BDBM50013022
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane. |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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)) | BDBM50013022
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)Show SMILES CCOC(=O)C1C(c2c(C)noc2C)C(C(=O)OCC)=C(C)N=C1C |c:23,t:20| Show InChI InChI=1S/C18H24N2O5/c1-7-23-17(21)14-9(3)19-10(4)15(18(22)24-8-2)16(14)13-11(5)20-25-12(13)6/h14,16H,7-8H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
More data for this
Ligand-Target Pair | |
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
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| 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-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50013021
(4-(5-Ethyl-3-methyl-isoxazol-4-yl)-2,6-dimethyl-1,...)Show SMILES CCOC(=O)C1C(c2c(C)noc2CC)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21| Show InChI InChI=1S/C19H26N2O5/c1-7-13-14(12(6)21-26-13)17-15(18(22)24-8-2)10(4)20-11(5)16(17)19(23)25-9-3/h15,17H,7-9H2,1-6H3 | PDB
KEGG
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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)) | BDBM50013026
(2,6-Dimethyl-4-(5-pentyl-3-phenyl-isoxazol-4-yl)-1...)Show SMILES CCCCCc1onc(c1C1C(C(=O)OCC)C(C)=NC(C)=C1C(=O)OCC)-c1ccccc1 |c:19,22| Show InChI InChI=1S/C27H34N2O5/c1-6-9-11-16-20-23(25(29-34-20)19-14-12-10-13-15-19)24-21(26(30)32-7-2)17(4)28-18(5)22(24)27(31)33-8-3/h10,12-15,21,24H,6-9,11,16H2,1-5H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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
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| CHEMBL
PC cid
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UniChem
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| 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-1C/alpha-1D/alpha-1F/alpha-1S
(Homo sapiens (Human)) | BDBM50013024
(4-(3,5-Dimethyl-isoxazol-4-yl)-2,6-dimethyl-1,4-di...)Show SMILES COC(=O)C1C(c2c(C)noc2C)C(C(=O)OC)=C(C)N=C1C |c:21,t:18| Show InChI InChI=1S/C16H20N2O5/c1-7-12(15(19)21-5)14(11-9(3)18-23-10(11)4)13(8(2)17-7)16(20)22-6/h12,14H,1-6H3 | PDB
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| CHEMBL
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PC sid
UniChem
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| PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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)) | BDBM50013023
(4-(5-Isopropyl-3-phenyl-isoxazol-4-yl)-2,6-dimethy...)Show SMILES CCOC(=O)C1C(c2c(onc2-c2ccccc2)C(C)C)C(C(=O)OCC)=C(C)N=C1C |c:31,t:28| Show InChI InChI=1S/C25H30N2O5/c1-7-30-24(28)18-15(5)26-16(6)19(25(29)31-8-2)20(18)21-22(17-12-10-9-11-13-17)27-32-23(21)14(3)4/h9-14,18,20H,7-8H2,1-6H3 | PDB
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| CHEMBL
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UniChem
Similars
| PubMed
| 254 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membrane |
J Med Chem 33: 2255-9 (1990)
BindingDB Entry DOI: 10.7270/Q2KS6QHH |
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
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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
(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
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KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| 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
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KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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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