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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 29 entry = 50047829   
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 calcium channel


(Homo sapiens (Human))
BDBM50192699
PNG
(CHEMBL3942685)
Show SMILES Fc1ccc(cc1)C1CC(=NN1C(=O)NC1CCCCC1)c1ccc(Br)cc1 |c:10|
Show InChI InChI=1/C22H23BrFN3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h6-13,19,21H,1-5,14H2,(H,25,28)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192669
PNG
(CHEMBL3962647)
Show SMILES Fc1ccc(NC(=O)N2N=C(C[C@H]2c2ccc(F)cc2)c2ccncc2)cc1 |r,c:9|
Show InChI InChI=1/C21H16F2N4O/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-24-12-10-14)26-27(20)21(28)25-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,25,28)/t20-/s2
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n/an/a 5.40E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192692
PNG
(CHEMBL3966824)
Show SMILES COc1ccc(cc1)C1=NN(C(=O)Nc2ccc(Cl)cc2)[C@@](CCO)(C1)c1cccnc1 |r,t:9|
Show InChI InChI=1/C24H23ClN4O3/c1-32-21-10-4-17(5-11-21)22-15-24(12-14-30,18-3-2-13-26-16-18)29(28-22)23(31)27-20-8-6-19(25)7-9-20/h2-11,13,16,30H,12,14-15H2,1H3,(H,27,31)/t24-/s2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192664
PNG
(CHEMBL3902564)
Show SMILES Cc1ccc(cc1)C1(CCN2CCOCC2)CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccccc1 |c:19|
Show InChI InChI=1/C29H31FN4O2/c1-22-7-9-24(10-8-22)29(15-16-33-17-19-36-20-18-33)21-27(23-5-3-2-4-6-23)32-34(29)28(35)31-26-13-11-25(30)12-14-26/h2-14H,15-21H2,1H3,(H,31,35)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192691
PNG
(CHEMBL3919508)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CC(=NN1C(=O)Nc1ccc(F)cc1)c1ccncc1 |c:13|
Show InChI InChI=1/C22H19FN4O3S/c1-31(29,30)19-8-2-16(3-9-19)21-14-20(15-10-12-24-13-11-15)26-27(21)22(28)25-18-6-4-17(23)5-7-18/h2-13,21H,14H2,1H3,(H,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192700
PNG
(CHEMBL3897833)
Show SMILES Fc1ccc(NC(=S)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:9|
Show InChI InChI=1/C22H16BrF2N3S/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192739
PNG
(CHEMBL3981633)
Show SMILES Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccccc2)cc1 |c:9|
Show InChI InChI=1/C22H17F2N3O/c23-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)26-27(21)22(28)25-19-12-10-18(24)11-13-19/h1-13,21H,14H2,(H,25,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192733
PNG
(CHEMBL3914689)
Show SMILES CCc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccc(Br)cc2)cc1 |c:10|
Show InChI InChI=1/C24H21BrFN3O/c1-2-16-3-13-21(14-4-16)27-24(30)29-23(18-7-11-20(26)12-8-18)15-22(28-29)17-5-9-19(25)10-6-17/h3-14,23H,2,15H2,1H3,(H,27,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair
Voltage-gated calcium channel


(Homo sapiens (Human))
BDBM50192698
PNG
(CHEMBL3893662)
Show SMILES [O-][n+]1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 |t:8|
Show InChI InChI=1/C21H16F2N4O2/c22-16-3-1-15(2-4-16)20-13-19(14-9-11-26(29)12-10-14)25-27(20)21(28)24-18-7-5-17(23)6-8-18/h1-12,20H,13H2,(H,24,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant T-type calcium channel Cav1.2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Kcl-induced calcium infl...


J Med Chem 59: 8398-411 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JWK
More data for this
Ligand-Target Pair