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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with Target = 'Pantothenate kinase 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071455
PNG
(CHEMBL3410245)
Show SMILES CC(C)c1ccc(NC(=O)CCc2nc(O)c3c4CCCc4sc3n2)cc1
Show InChI InChI=1S/C21H23N3O2S/c1-12(2)13-6-8-14(9-7-13)22-18(25)11-10-17-23-20(26)19-15-4-3-5-16(15)27-21(19)24-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24,26)
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n/an/a 120n/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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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 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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071449
PNG
(CHEMBL3410398)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5O/c1-12-16(13(2)29-20(26-12)17-7-4-10-25-19(17)28-29)8-9-18(30)27-15-6-3-5-14(11-15)21(22,23)24/h3-7,10-11H,8-9H2,1-2H3,(H,27,30)
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n/an/a 830n/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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071457
PNG
(CHEMBL3410247)
Show SMILES CC(C)CCNC(=O)c1csc(n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl2N2OS/c1-9(2)6-7-18-14(20)12-8-21-15(19-12)10-4-3-5-11(16)13(10)17/h3-5,8-9H,6-7H2,1-2H3,(H,18,20)
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n/an/a 2.45E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071472
PNG
(CHEMBL3410394)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H20FN5O/c1-13-17(8-9-19(28)24-12-15-5-3-6-16(22)11-15)14(2)27-21(25-13)18-7-4-10-23-20(18)26-27/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,28)
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n/an/a 1.01E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071458
PNG
(CHEMBL3410248)
Show SMILES CSc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C21H21N5OS/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 1.05E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071470
PNG
(CHEMBL3410257)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1F
Show InChI InChI=1S/C20H18FN5O/c1-12-14(9-10-18(27)24-17-8-4-3-7-16(17)21)13(2)26-20(23-12)15-6-5-11-22-19(15)25-26/h3-8,11H,9-10H2,1-2H3,(H,24,27)
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n/an/a 1.36E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071459
PNG
(CHEMBL3410249)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccccc1
Show InChI InChI=1S/C20H19N5O/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/h3-9,12H,10-11H2,1-2H3,(H,23,26)
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n/an/a 2.45E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071467
PNG
(CHEMBL3410254)
Show SMILES Cc1ccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C21H21N5O/c1-13-6-8-16(9-7-13)24-19(27)11-10-17-14(2)23-21-18-5-4-12-22-20(18)25-26(21)15(17)3/h4-9,12H,10-11H2,1-3H3,(H,24,27)
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n/an/a 2.56E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071384
PNG
(CHEMBL1603189)
Show SMILES COc1ccc(CNC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)cc1
Show InChI InChI=1S/C22H23N5O2/c1-14-18(10-11-20(28)24-13-16-6-8-17(29-3)9-7-16)15(2)27-22(25-14)19-5-4-12-23-21(19)26-27/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)
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n/an/a 2.58E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071462
PNG
(CHEMBL3410252)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCC1CCCCC1
Show InChI InChI=1S/C21H27N5O/c1-14-17(10-11-19(27)23-13-16-7-4-3-5-8-16)15(2)26-21(24-14)18-9-6-12-22-20(18)25-26/h6,9,12,16H,3-5,7-8,10-11,13H2,1-2H3,(H,23,27)
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n/an/a 4.09E+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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071452
PNG
(CHEMBL3410399)
Show SMILES COC(=O)c1cccc(NC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C22H21N5O3/c1-13-17(14(2)27-21(24-13)18-8-5-11-23-20(18)26-27)9-10-19(28)25-16-7-4-6-15(12-16)22(29)30-3/h4-8,11-12H,9-10H2,1-3H3,(H,25,28)
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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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071412
PNG
(CHEMBL3410397)
Show SMILES COc1cccc(CNC(=O)CCc2c(C)nc3c4cccnc4nn3c2C)c1
Show InChI InChI=1S/C22H23N5O2/c1-14-18(9-10-20(28)24-13-16-6-4-7-17(12-16)29-3)15(2)27-22(25-14)19-8-5-11-23-21(19)26-27/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,28)
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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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071460
PNG
(CHEMBL3410250)
Show SMILES CN(C(=O)CCc1c(C)nc2c3cccnc3nn2c1C)c1ccccc1
Show InChI InChI=1S/C21H21N5O/c1-14-17(11-12-19(27)25(3)16-8-5-4-6-9-16)15(2)26-21(23-14)18-10-7-13-22-20(18)24-26/h4-10,13H,11-12H2,1-3H3
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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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
BDBM50071471
PNG
(CHEMBL3410393)
Show SMILES Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H20FN5O/c1-13-17(9-10-19(28)24-12-15-5-7-16(22)8-6-15)14(2)27-21(25-13)18-4-3-11-23-20(18)26-27/h3-8,11H,9-10,12H2,1-2H3,(H,24,28)
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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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 3


(Homo sapiens)
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


Citation and Details
More data for this
Ligand-Target Pair