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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Pantothenate kinase 1'   
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 1


(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 70n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of purified human Pank1beta 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 1


(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 140n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 190n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 240n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 280n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 550n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 640n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 850n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.22E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.57E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 3.24E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 6.69E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.12E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.36E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.47E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 1.58E+4n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair
Pantothenate kinase 1


(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 Pank1beta (unknown origin) by Kinase Glo HTS assay


Citation and Details
More data for this
Ligand-Target Pair