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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1D' and Ligand = 'BDBM50004633'   
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-dependent L-type calcium channel subunit alpha-1D


(Homo sapiens (Human))
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12 |t:5,7|
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nitrendipine from L-type calcium channel of bovine frontal cortex membranes.


J Med Chem 35: 3115-29 (1992)


BindingDB Entry DOI: 10.7270/Q28W3DX8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Homo sapiens (Human))
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12 |t:5,7|
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis


J Med Chem 35: 3115-29 (1992)


BindingDB Entry DOI: 10.7270/Q28W3DX8
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Homo sapiens (Human))
BDBM50004633
PNG
((S)-4-(2-Chloro-phenyl)-6-methyl-2-[4-(2-methyl-im...)
Show SMILES CCOC(=O)C1=C(N=C(C)C(C1c1ccccc1Cl)C(=O)Nc1ccccn1)c1ccc(cc1)-n1c(C)nc2cnccc12 |t:5,7|
Show InChI InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,29-30H,4H2,1-3H3,(H,37,40,42)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-diltiazem from L-type calcium channel of bovine frontal cortex membranes.


J Med Chem 35: 3115-29 (1992)


BindingDB Entry DOI: 10.7270/Q28W3DX8
More data for this
Ligand-Target Pair