Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'goktug' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50113342 (CHEMBL518383) Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem	DrugBank PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368878 (CHEMBL456963) Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCCCC1 Show InChI InChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368899 (CHEMBL457177) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(32.02,-49.35,;31.25,-48.02,;29.71,-48.03,;28.93,-46.7,;29.69,-45.37,;31.23,-45.35,;32.01,-46.68,;28.91,-44.04,;27.37,-44.06,;26.59,-42.73,;26.61,-45.4,;27.53,-46.65,;26.63,-47.91,;25.15,-47.44,;25.14,-45.89,;23.89,-44.99,;22.35,-44.98,;21.58,-43.65,;21.57,-46.31,;22.34,-47.64,;23.88,-47.64,;21.57,-48.97,;20.02,-48.97,;19.26,-47.63,;20.03,-46.3,;19.27,-44.96,)| Show InChI InChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)/t9-,10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368881 (CHEMBL510578) Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NCC1CC1 Show InChI InChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071456 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368879 (CHEMBL497306) Show SMILES COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368876 (CHEMBL507167) Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(46.13,-48.47,;45.35,-47.14,;43.81,-47.15,;43.04,-45.82,;43.8,-44.49,;45.33,-44.47,;46.11,-45.8,;43.02,-43.17,;41.48,-43.18,;40.69,-41.85,;40.72,-44.52,;41.64,-45.77,;40.73,-47.03,;39.26,-46.56,;39.25,-45.01,;38,-44.11,;36.45,-44.1,;35.69,-42.77,;35.68,-45.44,;36.44,-46.76,;37.98,-46.76,;35.68,-48.09,;34.13,-48.09,;33.36,-46.75,;34.14,-45.42,;33.38,-44.08,)| Show InChI InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)/t9-,10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368900 (CHEMBL1187319) Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CCCNC1 |r| Show InChI InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50113281 (AT-7519) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071456 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/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				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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368874 (CHEMBL463579) Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)C2CCCCC2)cc1 Show InChI InChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 2, mitochondrial (Homo sapiens (Human))	BDBM50071456 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of purified human Pank2 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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368902 (CHEMBL497477) Show SMILES Fc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071455 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368897 (CHEMBL463580) Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50113349 (CHEMBL457388) Show SMILES Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17F2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071456 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071454 (CHEMBL3410244) Show SMILES CCS(=O)(=O)Nc1ccc(cc1)C(=O)NC1CC2CCC1C2 Show InChI InChI=1S/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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071449 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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 1 (Homo sapiens (Human))	BDBM50071469 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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 1 (Homo sapiens (Human))	BDBM50071382 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071453 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071456 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071470 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071469 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071453 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368905 (CHEMBL448316) Show SMILES Fc1cc(F)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCNCC2)c(F)c1 Show InChI InChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071449 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071459 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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 1 (Homo sapiens (Human))	BDBM50071462 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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 1 (Homo sapiens (Human))	BDBM50071464 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368877 (CHEMBL457208) Show SMILES Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071382 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071457 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071458 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071464 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071512 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368875 (CHEMBL4165150) Show SMILES Cn1cc(NC(=O)c2c(Cl)cccc2Cl)c(n1)C(=O)NC1CCN(CC1)C(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C24H21Cl4N5O3/c1-32-12-18(30-22(34)19-14(25)4-2-5-15(19)26)21(31-32)23(35)29-13-8-10-33(11-9-13)24(36)20-16(27)6-3-7-17(20)28/h2-7,12-13H,8-11H2,1H3,(H,29,35)(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368880 (CHEMBL4161715) Show SMILES CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(n1)C(=O)NC1CCCC1 Show InChI InChI=1S/C22H25ClN6O2/c1-2-28-14-19(20(27-28)22(31)25-18-5-3-4-6-18)26-21(30)16-9-7-15(8-10-16)12-29-13-17(23)11-24-29/h7-11,13-14,18H,2-6,12H2,1H3,(H,25,31)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368923 (CHEMBL4172348) Show SMILES CCn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(n1)C(=O)NCC(C)C Show InChI InChI=1S/C20H25F3N4O3/c1-4-27-10-16(17(26-27)19(29)24-9-13(2)3)25-18(28)15-7-5-14(6-8-15)11-30-12-20(21,22)23/h5-8,10,13H,4,9,11-12H2,1-3H3,(H,24,29)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50368904 (CHEMBL4175760) Show SMILES CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-2-25-11-16(23-18(26)14-9-8-12(20)10-15(14)21)17(24-25)19(27)22-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,22,27)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagged human full length Cyclin A using histone H1 and [gamma-32P]-ATP inc...				J Med Chem 61: 7700-7709 (2018) Article DOI: 10.1021/acs.jmedchem.8b00669 BindingDB Entry DOI: 10.7270/Q2GX4F3H
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071472 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 3 (Homo sapiens (Human))	BDBM50071458 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071467 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071512 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071461 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071470 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair
Pantothenate kinase 1 (Homo sapiens (Human))	BDBM50071384 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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 1 (Homo sapiens (Human))	BDBM50071472 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Pank1beta (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))	BDBM50071459 (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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q28W3G00
					More data for this Ligand-Target Pair

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