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Articleid 50029079

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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-gated L-type calcium channel


(Homo sapiens)
BDBM50281270
PNG
(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
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Article
42n/an/an/an/an/an/an/an/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-gated L-type calcium channel


(Homo sapiens)
BDBM50281272
PNG
((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
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Article
85n/an/an/an/an/an/an/an/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-gated L-type calcium channel


(Homo sapiens)
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
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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Article
380n/an/an/an/an/an/an/an/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-gated L-type calcium channel


(Homo sapiens)
BDBM50281271
PNG
((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
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Article
540n/an/an/an/an/an/an/an/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-gated L-type calcium channel


(Homo sapiens)
BDBM50000383
PNG
((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
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Article
650n/an/an/an/an/an/an/an/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
* indicates data uncertainty>20%