Compile Data Set for Download or QSAR

Found 164 hits Enz. Inhib. hit(s) with Target = '6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)'   

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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM61867 (2-(4-hydroxyphenyl)-5,6,7,8-tetrakis(oxidanyl)chro...) Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1 Show InChI InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)9-5-8(17)10-11(18)12(19)13(20)14(21)15(10)22-9/h1-5,16,18-21H	PDB UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Competitive inhibition of PFKFB3 (unknown origin) using fructose 6-phosphate as substrate				Bioorg Med Chem 22: 1029-39 (2014) Article DOI: 10.1016/j.bmc.2013.12.041 BindingDB Entry DOI: 10.7270/Q2TB18C4
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082118 (CHEMBL3422678) Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082117 (CHEMBL3422677) Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082114 (CHEMBL3422674) Show SMILES CN1Cc2cc(ccc2C1=O)-n1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C29H25N5O3/c1-33-16-18-13-21(6-10-24(18)29(33)36)34-17-19(15-30)25-14-23(9-11-27(25)34)37-22-7-4-20(5-8-22)32-28(35)26-3-2-12-31-26/h4-11,13-14,17,26,31H,2-3,12,16H2,1H3,(H,32,35)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082116 (CHEMBL3422676) Show SMILES Cc1noc(C)c1Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082115 (CHEMBL3422675) Show SMILES O=C(Nc1ccc(Oc2ccc3n(Cc4ccccc4)cc(C#N)c3c2)cc1)[C@@H]1CCCN1 Show InChI InChI=1S/C27H24N4O2/c28-16-20-18-31(17-19-5-2-1-3-6-19)26-13-12-23(15-24(20)26)33-22-10-8-21(9-11-22)30-27(32)25-7-4-14-29-25/h1-3,5-6,8-13,15,18,25,29H,4,7,14,17H2,(H,30,32)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082121 (CHEMBL3421731) Show SMILES Cn1cc(cn1)-c1cn(C)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 Show InChI InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082203 (CHEMBL3422651) Show SMILES CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082113 (CHEMBL3422673) Show SMILES O=C(Nc1ccc(Oc2ccc3n(cc(C#N)c3c2)-c2ccccc2)cc1)[C@@H]1CCCN1 Show InChI InChI=1S/C26H22N4O2/c27-16-18-17-30(20-5-2-1-3-6-20)25-13-12-22(15-23(18)25)32-21-10-8-19(9-11-21)29-26(31)24-7-4-14-28-24/h1-3,5-6,8-13,15,17,24,28H,4,7,14H2,(H,29,31)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200906 (US9233946, 5) Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082112 (CHEMBL3422672) Show SMILES O=C(Nc1ccc(Oc2ccc3n(CC4CCOCC4)cc(C#N)c3c2)cc1)[C@@H]1CCCN1 Show InChI InChI=1S/C26H28N4O3/c27-15-19-17-30(16-18-9-12-32-13-10-18)25-8-7-22(14-23(19)25)33-21-5-3-20(4-6-21)29-26(31)24-2-1-11-28-24/h3-8,14,17-18,24,28H,1-2,9-13,16H2,(H,29,31)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082118 (CHEMBL3422678) Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082123 (CHEMBL3421733) Show SMILES CC(C)Cn1cc(C#N)c2cc(ccc12)N(C)c1ccc(NC(=O)[C@@H]2CCCN2)cc1 Show InChI InChI=1S/C25H29N5O/c1-17(2)15-30-16-18(14-26)22-13-21(10-11-24(22)30)29(3)20-8-6-19(7-9-20)28-25(31)23-5-4-12-27-23/h6-11,13,16-17,23,27H,4-5,12,15H2,1-3H3,(H,28,31)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200914 (US9233946, 13) Show SMILES CC(C)c1ccc2oc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C19H19N5O3S/c1-11(2)13-7-8-17-16(10-13)12(3)19(27-17)28(25,26)22-15-6-4-5-14(9-15)18-20-23-24-21-18/h4-11,22H,1-3H3,(H,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082200 (CHEMBL3422667) Show SMILES CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCN4)cc3)ccc12 Show InChI InChI=1S/C21H20N4O2/c1-2-25-13-14(12-22)18-11-17(7-8-20(18)25)27-16-5-3-15(4-6-16)24-21(26)19-9-10-23-19/h3-8,11,13,19,23H,2,9-10H2,1H3,(H,24,26)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082135 (CHEMBL3422658) Show SMILES NCC(=O)Nc1ccc(Oc2ccc3n(Cc4ccccc4)c(N)c(C#N)c3c2)cc1 Show InChI InChI=1S/C24H21N5O2/c25-13-21-20-12-19(31-18-8-6-17(7-9-18)28-23(30)14-26)10-11-22(20)29(24(21)27)15-16-4-2-1-3-5-16/h1-12H,14-15,26-27H2,(H,28,30)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082124 (CHEMBL3421734) Show SMILES CC(C)Cn1cc(C#N)c2cc(Sc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C24H26N4OS/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082204 (CHEMBL3422670) Show SMILES CNC(=O)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C23H23N5O3/c1-25-22(29)14-28-13-15(12-24)19-11-18(8-9-21(19)28)31-17-6-4-16(5-7-17)27-23(30)20-3-2-10-26-20/h4-9,11,13,20,26H,2-3,10,14H2,1H3,(H,25,29)(H,27,30)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082196 (CHEMBL3422664) Show SMILES CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C22H22N4O2/c1-2-26-14-15(13-23)19-12-18(9-10-21(19)26)28-17-7-5-16(6-8-17)25-22(27)20-4-3-11-24-20/h5-10,12,14,20,24H,2-4,11H2,1H3,(H,25,27)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082120 (CHEMBL3422680) Show SMILES Cn1cc(cn1)-c1c[nH]c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 Show InChI InChI=1S/C23H23N5O2/c1-28-14-15(12-26-28)20-13-25-21-9-8-18(11-19(20)21)30-17-6-4-16(5-7-17)27-23(29)22-3-2-10-24-22/h4-9,11-14,22,24-25H,2-3,10H2,1H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200934 (US9233946, 33) Show SMILES Cc1c(sc2ccc(C)cc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C17H15N5O2S2/c1-10-6-7-15-14(8-10)11(2)17(25-15)26(23,24)20-13-5-3-4-12(9-13)16-18-21-22-19-16/h3-9,20H,1-2H3,(H,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082114 (CHEMBL3422674) Show SMILES CN1Cc2cc(ccc2C1=O)-n1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C29H25N5O3/c1-33-16-18-13-21(6-10-24(18)29(33)36)34-17-19(15-30)25-14-23(9-11-27(25)34)37-22-7-4-20(5-8-22)32-28(35)26-3-2-12-31-26/h4-11,13-14,17,26,31H,2-3,12,16H2,1H3,(H,32,35)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082134 (CHEMBL3422657) Show SMILES CC(C)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Show InChI InChI=1S/C21H23N5O2/c1-13(2)12-26-19-8-7-16(9-17(19)18(10-22)21(26)24)28-15-5-3-14(4-6-15)25-20(27)11-23/h3-9,13H,11-12,23-24H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200939 (US9233946, 38) Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C16H12ClNO4S2/c1-9-13-8-11(17)5-6-14(13)23-16(9)24(21,22)18-12-4-2-3-10(7-12)15(19)20/h2-8,18H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082126 (CHEMBL3421736) Show SMILES CC(C)Cn1cc(C#N)c2cc(Cc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C25H28N4O/c1-17(2)15-29-16-20(14-26)22-13-19(7-10-24(22)29)12-18-5-8-21(9-6-18)28-25(30)23-4-3-11-27-23/h5-10,13,16-17,23,27H,3-4,11-12,15H2,1-2H3,(H,28,30)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50445946 (CHEMBL3105836) Show SMILES O=C(\C=C\c1ccc2ccccc2n1)c1ccncc1 Show InChI InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of PFKFB3 (unknown origin)				Bioorg Med Chem Lett 24: 4915-25 (2014) Article DOI: 10.1016/j.bmcl.2014.09.041 BindingDB Entry DOI: 10.7270/Q25Q4XV9
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200916 (US9233946, 15) Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1cccc(CC(O)=O)c1 Show InChI InChI=1S/C20H21NO4S2/c1-12(2)15-7-8-18-17(11-15)13(3)20(26-18)27(24,25)21-16-6-4-5-14(9-16)10-19(22)23/h4-9,11-12,21H,10H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082205 (CHEMBL3422671) Show SMILES CN(C)CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C24H27N5O2/c1-28(2)12-13-29-16-17(15-25)21-14-20(9-10-23(21)29)31-19-7-5-18(6-8-19)27-24(30)22-4-3-11-26-22/h5-10,14,16,22,26H,3-4,11-13H2,1-2H3,(H,27,30)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200940 (US9233946, 39) Show SMILES Cc1c(sc2ccccc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C16H13N5O2S2/c1-10-13-7-2-3-8-14(13)24-16(10)25(22,23)19-12-6-4-5-11(9-12)15-17-20-21-18-15/h2-9,19H,1H3,(H,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200902 (US9233946, 1) Show SMILES Clc1ccc(c(Cl)c1Cl)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C13H8Cl3N5O2S/c14-9-4-5-10(12(16)11(9)15)24(22,23)19-8-3-1-2-7(6-8)13-17-20-21-18-13/h1-6,19H,(H,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200915 (US9233946, 14) Show SMILES CC(C)c1ccc2oc(c(C)c2c1)S(=O)(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C19H19NO5S/c1-11(2)13-7-8-17-16(10-13)12(3)19(25-17)26(23,24)20-15-6-4-5-14(9-15)18(21)22/h4-11,20H,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082116 (CHEMBL3422676) Show SMILES Cc1noc(C)c1Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C26H25N5O3/c1-16-23(17(2)34-30-16)15-31-14-18(13-27)22-12-21(9-10-25(22)31)33-20-7-5-19(6-8-20)29-26(32)24-4-3-11-28-24/h5-10,12,14,24,28H,3-4,11,15H2,1-2H3,(H,29,32)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082117 (CHEMBL3422677) Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200926 (US9233946, 25) Show SMILES Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C15H12N6O2S3/c1-9-16-12(8-24-9)13-5-6-14(25-13)26(22,23)19-11-4-2-3-10(7-11)15-17-20-21-18-15/h2-8,19H,1H3,(H,17,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082136 (CHEMBL3422659) Show SMILES CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Show InChI InChI=1S/C21H22N6O3/c1-26(2)20(29)12-27-18-8-7-15(9-16(18)17(10-22)21(27)24)30-14-5-3-13(4-6-14)25-19(28)11-23/h3-9H,11-12,23-24H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082203 (CHEMBL3422651) Show SMILES CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 Show InChI InChI=1S/C24H26N4O2/c1-16(2)14-28-15-17(13-25)21-12-20(9-10-23(21)28)30-19-7-5-18(6-8-19)27-24(29)22-4-3-11-26-22/h5-10,12,15-16,22,26H,3-4,11,14H2,1-2H3,(H,27,29)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200949 (US9233946, 48) Show SMILES Cc1c(sc2ccc(N)cc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C16H14N6O2S2/c1-9-13-8-11(17)5-6-14(13)25-16(9)26(23,24)20-12-4-2-3-10(7-12)15-18-21-22-19-15/h2-8,20H,17H2,1H3,(H,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200918 (US9233946, 17) Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C19H14FN5O2S/c20-16-9-7-13(8-10-16)14-3-2-6-18(12-14)28(26,27)23-17-5-1-4-15(11-17)19-21-24-25-22-19/h1-12,23H,(H,21,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50445945 (CHEMBL3105838) Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O Show InChI InChI=1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30...				Bioorg Med Chem 22: 1029-39 (2014) Article DOI: 10.1016/j.bmc.2013.12.041 BindingDB Entry DOI: 10.7270/Q2TB18C4
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082119 (CHEMBL3422679) Show SMILES Cn1cc(cn1)-c1n[nH]c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12 Show InChI InChI=1S/C19H18N6O2/c1-25-11-12(10-21-25)19-16-8-15(6-7-17(16)23-24-19)27-14-4-2-13(3-5-14)22-18(26)9-20/h2-8,10-11H,9,20H2,1H3,(H,22,26)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082133 (CHEMBL3422652) Show SMILES CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Show InChI InChI=1S/C19H19N5O2/c1-2-24-17-8-7-14(9-15(17)16(10-20)19(24)22)26-13-5-3-12(4-6-13)23-18(25)11-21/h3-9H,2,11,21-22H2,1H3,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082202 (CHEMBL3422669) Show SMILES CCn1cc(C#N)c2cc(Oc3ccc(cc3)N(C)C(=O)[C@@H]3CCC(=O)N3)ccc12 Show InChI InChI=1S/C23H22N4O3/c1-3-27-14-15(13-24)19-12-18(8-10-21(19)27)30-17-6-4-16(5-7-17)26(2)23(29)20-9-11-22(28)25-20/h4-8,10,12,14,20H,3,9,11H2,1-2H3,(H,25,28)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	531	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200959 (US9233946, 58) Show SMILES NC(=O)c1cccc(c1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C18H14N6O3S2/c19-17(25)12-4-1-3-11(9-12)15-7-8-16(28-15)29(26,27)22-14-6-2-5-13(10-14)18-20-23-24-21-18/h1-10,22H,(H2,19,25)(H,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200960 (US9233946, 59) Show SMILES Clc1nc(ns1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C13H8ClN7O2S3/c14-13-15-12(18-25-13)9-4-5-10(24-9)26(22,23)19-8-3-1-2-7(6-8)11-16-20-21-17-11/h1-6,19H,(H,16,17,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082138 (CHEMBL3422661) Show SMILES CCn1cc(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12 Show InChI InChI=1S/C19H18N4O2/c1-2-23-12-13(10-20)17-9-16(7-8-18(17)23)25-15-5-3-14(4-6-15)22-19(24)11-21/h3-9,12H,2,11,21H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200974 (US9233946, 73) Show SMILES Clc1ccc(c2nonc12)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C13H8ClN7O3S/c14-9-4-5-10(12-11(9)17-24-18-12)25(22,23)19-8-3-1-2-7(6-8)13-15-20-21-16-13/h1-6,19H,(H,15,16,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082128 (CHEMBL3422654) Show SMILES N[C@@H](CO)C(=O)Nc1ccc(Oc2ccc3[nH]c(N)c(C#N)c3c2)cc1 Show InChI InChI=1S/C18H17N5O3/c19-8-14-13-7-12(5-6-16(13)23-17(14)21)26-11-3-1-10(2-4-11)22-18(25)15(20)9-24/h1-7,15,23-24H,9,20-21H2,(H,22,25)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200909 (US9233946, 8) Show SMILES CC(C)c1ccc2sc(c(C)c2c1)S(=O)(=O)Nc1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C17H18N2O4S3/c1-8(2)11-5-6-13-12(7-11)9(3)16(24-13)26(22,23)19-17-18-10(4)14(25-17)15(20)21/h5-8H,1-4H3,(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method A: The kinase activity of the bi-functional enzyme is readily quantified based on the production of F-2,6-P2 as described by Van Schaftingen e...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM200924 (US9233946, 23) Show SMILES Fc1cc(F)cc(c1)-c1ccc(s1)S(=O)(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C17H11F2N5O2S2/c18-12-6-11(7-13(19)9-12)15-4-5-16(27-15)28(25,26)22-14-3-1-2-10(8-14)17-20-23-24-21-17/h1-9,22H,(H,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
KANCERA AB US Patent					Assay Description Method B: The kinase activity of the bi-functional enzyme is readily quantified based on the production of ADP and F-2,6-P2 from ATP and F6P. The ADP...				US Patent US9233946 (2016) BindingDB Entry DOI: 10.7270/Q2V123KB
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3) (Homo sapiens (Human))	BDBM50082112 (CHEMBL3422672) Show SMILES O=C(Nc1ccc(Oc2ccc3n(CC4CCOCC4)cc(C#N)c3c2)cc1)[C@@H]1CCCN1 Show InChI InChI=1S/C26H28N4O3/c27-15-19-17-30(16-18-9-12-32-13-10-18)25-8-7-22(14-23(19)25)33-21-5-3-20(4-6-21)29-26(31)24-2-1-11-28-24/h3-8,14,17-18,24,28H,1-2,9-13,16H2,(H,29,31)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	633	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 164 total )  |  Next  |  Last  >>

Jump to: