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Compile Data Set for Download or QSAR

Found 4 hits of ec50 data for polymerid = 50006829   
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
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071514
PNG
(CHEMBL3410241)
Show SMILES Fc1ccc(CC(=O)N2CCN(CC2)c2nc3c(Cl)cccc3s2)cc1
Show InChI InChI=1S/C19H17ClFN3OS/c20-15-2-1-3-16-18(15)22-19(26-16)24-10-8-23(9-11-24)17(25)12-13-4-6-14(21)7-5-13/h1-7H,8-12H2
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PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Activation of Pank3 (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
BindingDB Entry DOI: 10.7270/Q28W3G00
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071548
PNG
(CHEMBL3410242)
Show SMILES CC(N1CCC(CC1)C(=O)NCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c1-15(21(28)26-20-13-18(23)7-8-19(20)24)27-11-9-17(10-12-27)22(29)25-14-16-5-3-2-4-6-16/h2-8,13,15,17H,9-12,14H2,1H3,(H,25,29)(H,26,28)
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n/an/an/an/a 1.72E+3n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Activation of Pank3 (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
BindingDB Entry DOI: 10.7270/Q28W3G00
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071513
PNG
(CHEMBL3410240)
Show SMILES Cc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)c(C)c1
Show InChI InChI=1S/C19H22FN3O/c1-14-7-8-17(15(2)13-14)21-19(24)23-11-9-22(10-12-23)18-6-4-3-5-16(18)20/h3-8,13H,9-12H2,1-2H3,(H,21,24)
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n/an/an/an/a 2.41E+3n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Activation of Pank3 (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
BindingDB Entry DOI: 10.7270/Q28W3G00
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071569
PNG
(CHEMBL3410243)
Show SMILES CCN(CC)c1ccc(CNc2nn[nH]n2)cc1
Show InChI InChI=1S/C12H18N6/c1-3-18(4-2)11-7-5-10(6-8-11)9-13-12-14-16-17-15-12/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15,16,17)
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PC cid
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PubMed
n/an/an/an/a 3.43E+3n/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Activation of Pank3 (unknown origin) by Kinase Glo HTS assay


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
BindingDB Entry DOI: 10.7270/Q28W3G00
More data for this
Ligand-Target Pair