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There are 14 purchasable compounds for target: Pantothenic acid kinase 3

Wt: 375.4
BDBM50071382
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Wt: 375.4
BDBM50071383
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Wt: 402.4
BDBM50071453
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Wt: 322.4
BDBM50071454
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Wt: 351.4
BDBM50071461
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Wt: 359.4
BDBM50071464
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Wt: 363.3
BDBM50071469
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Wt: 375.4
BDBM50071512
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Wt: 327.3
BDBM50071513
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Wt: 434.3
BDBM50071548
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Wt: 246.3
BDBM50071569
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Wt: 391.4
BDBM50071456
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Wt: 363.3
BDBM50071468
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Wt: 389.8
BDBM50071514
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50071382,50071383,50071453,50071454,50071461,50071464,50071469,50071512,50071513,50071548,50071569,50071456,50071468,50071514   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071454
PNG
(CHEMBL3410244)
Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(=O)NC1CC2CCC1C2
Show InChI InChI=1/C16H22N2O3S/c1-2-22(20,21)18-14-7-5-12(6-8-14)16(19)17-15-10-11-3-4-13(15)9-11/h5-8,11,13,15,18H,2-4,9-10H2,1H3,(H,17,19)
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n/an/a 180n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071456
PNG
(CHEMBL3410246)
Show SMILES CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C21H21N5OS/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
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n/an/a 25n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of purified human Pank3 using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071461
PNG
(CHEMBL3410251)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NC1CCCCC1
Show InChI InChI=1S/C20H25N5O/c1-13-16(10-11-18(26)23-15-7-4-3-5-8-15)14(2)25-20(22-13)17-9-6-12-21-19(17)24-25/h6,9,12,15H,3-5,7-8,10-11H2,1-2H3,(H,23,26)
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n/an/a>5.60E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071464
PNG
(CHEMBL3410253)
Show SMILES Cc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C21H21N5O/c1-13-6-4-7-16(12-13)24-19(27)10-9-17-14(2)23-21-18-8-5-11-22-20(18)25-26(21)15(17)3/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
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n/an/a 3.84E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071468
PNG
(CHEMBL3410255)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H18FN5O/c1-12-16(9-10-18(27)24-15-7-5-14(21)6-8-15)13(2)26-20(23-12)17-4-3-11-22-19(17)25-26/h3-8,11H,9-10H2,1-2H3,(H,24,27)
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n/an/a>5.60E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071469
PNG
(CHEMBL3410256)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C20H18FN5O/c1-12-16(8-9-18(27)24-15-6-3-5-14(21)11-15)13(2)26-20(23-12)17-7-4-10-22-19(17)25-26/h3-7,10-11H,8-9H2,1-2H3,(H,24,27)
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n/an/a 620n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071512
PNG
(CHEMBL3410395)
Show SMILES COc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C21H21N5O2/c1-13-17(10-11-19(27)24-15-6-8-16(28-3)9-7-15)14(2)26-21(23-13)18-5-4-12-22-20(18)25-26/h4-9,12H,10-11H2,1-3H3,(H,24,27)
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n/an/a 1.13E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071382
PNG
(CHEMBL1555019)
Show SMILES COc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C21H21N5O2/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
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n/an/a 1.64E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071383
PNG
(CHEMBL3410396)
Show SMILES COc1ccccc1NC(=O)CCc1c(C)nc2c3cccnc3nn2c1C
Show InChI InChI=1S/C21H21N5O2/c1-13-15(10-11-19(27)24-17-8-4-5-9-18(17)28-3)14(2)26-21(23-13)16-7-6-12-22-20(16)25-26/h4-9,12H,10-11H2,1-3H3,(H,24,27)
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n/an/a>5.60E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


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


(Homo sapiens (Human))
BDBM50071453
PNG
(CHEMBL3410400)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C22H22N6O2/c1-13-18(14(2)28-22(24-13)19-5-4-12-23-21(19)27-28)10-11-20(30)26-17-8-6-16(7-9-17)25-15(3)29/h4-9,12H,10-11H2,1-3H3,(H,25,29)(H,26,30)
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n/an/a 350n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
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
More data for this
Ligand-Target Pair
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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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
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=1/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
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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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
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens (Human))
BDBM50071456
PNG
(CHEMBL3410246)
Show SMILES CSc1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C21H21N5OS/c1-13-17(9-10-19(27)24-15-6-4-7-16(12-15)28-3)14(2)26-21(23-13)18-8-5-11-22-20(18)25-26/h4-8,11-12H,9-10H2,1-3H3,(H,24,27)
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UniChem
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n/an/a 360n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


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


J Med Chem 58: 1563-8 (2015)


Article DOI: 10.1021/jm501585q
More data for this
Ligand-Target Pair