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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'de kock' and Initial = 'c'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496040
PNG
(CHEMBL3120287)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H30N6OS/c1-23-22-25-18-15-19(30-20(18)21(26-22)24-9-4-10-27(2)3)16-5-7-17(8-6-16)28-11-13-29-14-12-28/h5-8,15H,4,9-14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496036
PNG
(CHEMBL3120293)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc2nonc2c1
Show InChI InChI=1S/C18H21N7OS/c1-19-18-21-14-10-15(11-5-6-12-13(9-11)24-26-23-12)27-16(14)17(22-18)20-7-4-8-25(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50122019
PNG
(CHEMBL3120274)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H22F3N5S/c1-23-18-25-14-11-15(12-5-7-13(8-6-12)19(20,21)22)28-16(14)17(26-18)24-9-4-10-27(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,23,24,25,26)
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CHEMBL
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496037
PNG
(CHEMBL3120280)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H22F3N5OS/c1-23-18-25-14-11-15(12-5-7-13(8-6-12)28-19(20,21)22)29-16(14)17(26-18)24-9-4-10-27(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,23,24,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496039
PNG
(CHEMBL3120281)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccc(OC)nc1
Show InChI InChI=1S/C18H24N6OS/c1-19-18-22-13-10-14(12-6-7-15(25-4)21-11-12)26-16(13)17(23-18)20-8-5-9-24(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,19,20,22,23)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50496038
PNG
(CHEMBL3120265)
Show SMILES CNc1nc(NCCCN(C)C)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C18H23N5S/c1-19-18-21-14-12-15(13-8-5-4-6-9-13)24-16(14)17(22-18)20-10-7-11-23(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,19,20,21,22)
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Binding affinity to full length human ERG expressed in CHO cells after 6 to 7 mins by IonWorks assay


J Med Chem 57: 1014-22 (2014)


Article DOI: 10.1021/jm401760c
BindingDB Entry DOI: 10.7270/Q2NG4TMV
More data for this
Ligand-Target Pair