Compile Data Set for Download or QSAR

Found 236 hits with Last Name = 'sabiniarz' 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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508562 (CHEMBL4541928) Show SMILES CN1CCCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108411 (US8604217, 366) Show SMILES Brc1c(Br)c(Br)c2[nH]c(NC3CCCNCC3)nc2c1Br Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-2-1-4-18-5-3-6/h6,18H,1-5H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508559 (CHEMBL4592338) Show SMILES CN1CC[C@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108393 (US8604217, 304RR) Show SMILES N[C@@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |r| Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-4-2-1-3-5(6)18/h5-6H,1-4,18H2,(H2,19,20,21)/t5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.26	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108410 (US8604217, 358) Show SMILES CN1CCCC(CC1)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C14H16Br4N4/c1-22-5-2-3-7(4-6-22)19-14-20-12-10(17)8(15)9(16)11(18)13(12)21-14/h7H,2-6H2,1H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.82	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108358 (US8604217, 11) Show SMILES NCCCNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C10H10Br4N4/c11-4-5(12)7(14)9-8(6(4)13)17-10(18-9)16-3-1-2-15/h1-3,15H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.89	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108355 (US8604217, 416) Show SMILES CCn1c(nc2c(Br)c(Br)c(Br)c(Br)c12)N1CCNCC1 Show InChI InChI=1S/C13H14Br4N4/c1-2-21-12-10(17)8(15)7(14)9(16)11(12)19-13(21)20-5-3-18-4-6-20/h18H,2-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.55	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108415 (US8604217, 435) Show SMILES Brc1c(Br)c(Br)c2[nH]c(NC3CCNCC3)nc2c1Br Show InChI InChI=1S/C12H12Br4N4/c13-6-7(14)9(16)11-10(8(6)15)19-12(20-11)18-5-1-3-17-4-2-5/h5,17H,1-4H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.68	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108353 (US8604217, 392) Show SMILES NC(=N)N1CCN(CC1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C12H12Br4N6/c13-5-6(14)8(16)10-9(7(5)15)19-12(20-10)22-3-1-21(2-4-22)11(17)18/h1-4H2,(H3,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.72	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108342 (US8604217, 359) Show SMILES CC(C)n1c(nc2c(Br)c(Br)c(Br)c(Br)c12)N1CCNCC1 Show InChI InChI=1S/C14H16Br4N4/c1-7(2)22-13-11(18)9(16)8(15)10(17)12(13)20-14(22)21-5-3-19-4-6-21/h7,19H,3-6H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.84	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108392 (US8604217, 304cis) Show SMILES NC1CCCCC1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-4-2-1-3-5(6)18/h5-6H,1-4,18H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108365 (US8604217, 61) Show SMILES NCCCCNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C11H12Br4N4/c12-5-6(13)8(15)10-9(7(5)14)18-11(19-10)17-4-2-1-3-16/h1-4,16H2,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.85	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508565 (CHEMBL4439789) Show SMILES CN1CC[C@@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108356 (US8604217, 417) Show SMILES CCCn1c(nc2c(Br)c(Br)c(Br)c(Br)c12)N1CCNCC1 Show InChI InChI=1S/C14H16Br4N4/c1-2-5-22-13-11(18)9(16)8(15)10(17)12(13)20-14(22)21-6-3-19-4-7-21/h19H,2-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.36	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108343 (US8604217, 364) Show SMILES C[C@@H]1CN([C@@H](C)CN1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |r| Show InChI InChI=1S/C13H14Br4N4/c1-5-4-21(6(2)3-18-5)13-19-11-9(16)7(14)8(15)10(17)12(11)20-13/h5-6,18H,3-4H2,1-2H3,(H,19,20)/t5-,6+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508542 (CHEMBL4449586) Show SMILES CN1CCC(CNS(=O)(=O)c2ccccc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 Show InChI InChI=1S/C29H30N6O2S/c1-34-13-9-20(19-34)18-32-38(36,37)28-6-4-3-5-25(28)33-23-16-24(29-26(17-23)30-11-12-31-29)22-8-7-21-10-14-35(2)27(21)15-22/h3-8,10-12,14-17,20,32-33H,9,13,18-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508535 (CHEMBL4465124) Show SMILES CC(=O)N1CCCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C30H29N7O2/c1-19(38)37-12-3-4-22(18-37)35-30(39)24-7-9-31-17-27(24)34-23-15-25(29-26(16-23)32-10-11-33-29)21-6-5-20-8-13-36(2)28(20)14-21/h5-11,13-17,22,34H,3-4,12,18H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108394 (US8604217, 304SS) Show SMILES N[C@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |r| Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-4-2-1-3-5(6)18/h5-6H,1-4,18H2,(H2,19,20,21)/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108373 (US8604217, 90) Show SMILES NCC(O)CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C10H10Br4N4O/c11-4-5(12)7(14)9-8(6(4)13)17-10(18-9)16-2-3(19)1-15/h3,19H,1-2,15H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.1	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108329 (US8604217, 18) Show SMILES Brc1c(Br)c(Br)c2[nH]c(nc2c1Br)N1CCCC1 Show InChI InChI=1S/C11H9Br4N3/c12-5-6(13)8(15)10-9(7(5)14)16-11(17-10)18-3-1-2-4-18/h1-4H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108403 (US8604217, 334) Show SMILES OC1CCCCC1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C13H13Br4N3O/c14-7-8(15)10(17)12-11(9(7)16)19-13(20-12)18-5-3-1-2-4-6(5)21/h5-6,21H,1-4H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108400 (US8604217, 331) Show SMILES NC1CC=CCC1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |c:3| Show InChI InChI=1S/C13H12Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-4-2-1-3-5(6)18/h1-2,5-6H,3-4,18H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508560 (CHEMBL4471955) Show SMILES CN1CCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H27N7O/c1-34-11-7-20(17-34)33-28(36)22-5-8-29-16-25(22)32-21-14-23(27-24(15-21)30-9-10-31-27)19-4-3-18-6-12-35(2)26(18)13-19/h3-6,8-10,12-16,20,32H,7,11,17H2,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108372 (US8604217, 87) Show SMILES NC1CCC(CC1)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |(6.13,-3.72,;5.04,-2.63,;3.56,-3.03,;2.47,-1.94,;2.87,-.45,;4.35,-.05,;5.44,-1.14,;1.78,.64,;.24,.64,;-.67,1.88,;-2.13,1.41,;-3.47,2.18,;-3.47,3.72,;-4.8,1.41,;-6.13,2.18,;-4.8,-.13,;-6.13,-.9,;-3.47,-.9,;-3.47,-2.44,;-2.13,-.13,;-.67,-.61,)| Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-3-1-5(18)2-4-6/h5-6H,1-4,18H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.1	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108397 (US8604217, 309) Show SMILES OC1CCC(CC1)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 |(5.5,4.21,;4.73,2.87,;5.5,1.54,;4.73,.21,;3.19,.21,;2.42,1.54,;3.19,2.87,;2.42,-1.13,;.88,-1.13,;-.03,.12,;-1.49,-.36,;-2.83,.41,;-2.83,1.95,;-4.16,-.36,;-5.5,.41,;-4.16,-1.9,;-5.5,-2.67,;-2.83,-2.67,;-2.83,-4.21,;-1.49,-1.9,;-.03,-2.37,)| Show InChI InChI=1S/C13H13Br4N3O/c14-7-8(15)10(17)12-11(9(7)16)19-13(20-12)18-5-1-3-6(21)4-2-5/h5-6,21H,1-4H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15.9	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108401 (US8604217, 332) Show SMILES Nc1ccccc1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C13H8Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-4-2-1-3-5(6)18/h1-4H,18H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.2	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108331 (US8604217, 20) Show SMILES Brc1c(Br)c(Br)c2[nH]c(nc2c1Br)N1CCNCC1 Show InChI InChI=1S/C11H10Br4N4/c12-5-6(13)8(15)10-9(7(5)14)17-11(18-10)19-3-1-16-2-4-19/h16H,1-4H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.9	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508526 (CHEMBL4542245) Show SMILES CN1CCC(C1)NC(=O)c1ccncc1Nc1cc(-c2cc(F)c3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H26FN7O/c1-35-9-4-18(16-35)34-28(37)21-3-6-30-15-25(21)33-19-13-22(27-24(14-19)31-7-8-32-27)17-11-23(29)20-5-10-36(2)26(20)12-17/h3,5-8,10-15,18,33H,4,9,16H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508537 (CHEMBL4461874) Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C30H29N7O2/c1-19(38)37-13-7-22(8-14-37)35-30(39)24-5-9-31-18-27(24)34-23-16-25(29-26(17-23)32-10-11-33-29)21-4-3-20-6-12-36(2)28(20)15-21/h3-6,9-12,15-18,22,34H,7-8,13-14H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108404 (US8604217, 336) Show SMILES NC1CCCC(C1)Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C13H14Br4N4/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-6-3-1-2-5(18)4-6/h5-6H,1-4,18H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108406 (US8604217, 338) Show SMILES Brc1c(Br)c(Br)c2[nH]c(N[C@H]3COC[C@@H]3N3CCCCC3)nc2c1Br |r| Show InChI InChI=1S/C16H18Br4N4O/c17-10-11(18)13(20)15-14(12(10)19)22-16(23-15)21-8-6-25-7-9(8)24-4-2-1-3-5-24/h8-9H,1-7H2,(H2,21,22,23)/t8-,9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21.7	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508540 (CHEMBL4470835) Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2cnccc2C(=O)Nc2cncnc2)cc2nccnc12 Show InChI InChI=1S/C27H20N8O/c1-35-9-5-17-2-3-18(10-25(17)35)22-11-19(12-23-26(22)32-8-7-31-23)33-24-15-28-6-4-21(24)27(36)34-20-13-29-16-30-14-20/h2-16,33H,1H3,(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508564 (CHEMBL4553861) Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(=O)(=O)NCc2cncnc2)cc2nccnc12 Show InChI InChI=1S/C28H23N7O2S/c1-35-11-8-20-6-7-21(12-26(20)35)23-13-22(14-25-28(23)32-10-9-31-25)34-24-4-2-3-5-27(24)38(36,37)33-17-19-15-29-18-30-16-19/h2-16,18,33-34H,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108366 (US8604217, 65) Show SMILES Brc1c(Br)c(Br)c2[nH]c(NCCCn3ccnc3)nc2c1Br Show InChI InChI=1S/C13H11Br4N5/c14-7-8(15)10(17)12-11(9(7)16)20-13(21-12)19-2-1-4-22-5-3-18-6-22/h3,5-6H,1-2,4H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.7	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108405 (US8604217, 337) Show SMILES Brc1c(Br)c(Br)c2[nH]c(N[C@H]3COC[C@@H]3N3CCCC3)nc2c1Br |r| Show InChI InChI=1S/C15H16Br4N4O/c16-9-10(17)12(19)14-13(11(9)18)21-15(22-14)20-7-5-24-6-8(7)23-3-1-2-4-23/h7-8H,1-6H2,(H2,20,21,22)/t7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.6	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108363 (US8604217, 58) Show SMILES Brc1c(Br)c(Br)c2[nH]c(NCCCN3CCCC3)nc2c1Br Show InChI InChI=1S/C14H16Br4N4/c15-8-9(16)11(18)13-12(10(8)17)20-14(21-13)19-4-3-7-22-5-1-2-6-22/h1-7H2,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.7	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508543 (CHEMBL4518022) Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(=O)(=O)NCC2CCOCC2)cc2nccnc12 Show InChI InChI=1S/C29H29N5O3S/c1-34-13-8-21-6-7-22(16-27(21)34)24-17-23(18-26-29(24)31-12-11-30-26)33-25-4-2-3-5-28(25)38(35,36)32-19-20-9-14-37-15-10-20/h2-8,11-13,16-18,20,32-33H,9-10,14-15,19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108407 (US8604217, 342) Show SMILES CN(c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)c1ccccc1 Show InChI InChI=1S/C14H9Br4N3/c1-21(7-5-3-2-4-6-7)14-19-12-10(17)8(15)9(16)11(18)13(12)20-14/h2-6H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28.6	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108330 (US8604217, 19) Show SMILES Brc1c(Br)c(Br)c2[nH]c(nc2c1Br)N1CCOCC1 Show InChI InChI=1S/C11H9Br4N3O/c12-5-6(13)8(15)10-9(7(5)14)16-11(17-10)18-1-3-19-4-2-18/h1-4H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.4	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108336 (US8604217, 260) Show SMILES Brc1c(Br)c(Br)c2[nH]c(nc2c1Br)N1CCCNCC1 Show InChI InChI=1S/C12H12Br4N4/c13-6-7(14)9(16)11-10(8(6)15)18-12(19-11)20-4-1-2-17-3-5-20/h17H,1-5H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29.9	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508527 (CHEMBL4437856) Show SMILES CN1CC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C27H25N7O/c1-33-15-20(16-33)32-27(35)21-5-7-28-14-24(21)31-19-12-22(26-23(13-19)29-8-9-30-26)18-4-3-17-6-10-34(2)25(17)11-18/h3-14,20,31H,15-16H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108340 (US8604217, 350) Show SMILES Brc1c(Br)c(Br)c2[nH]c(nc2c1Br)N1CCN2CCC1CC2 |THB:8:13:17.18:21.20,(-5.81,1.83,;-4.48,1.06,;-4.48,-.48,;-5.81,-1.25,;-3.14,-1.25,;-3.14,-2.79,;-1.81,-.48,;-.34,-.95,;.56,.29,;-.34,1.54,;-1.81,1.06,;-3.14,1.83,;-3.14,3.37,;2.1,.29,;2.99,1.49,;3.2,-.3,;4,-2.03,;5.81,-2.03,;4.6,-1.12,;2.48,-1.12,;1.85,-2.52,;3.24,-3.37,)| Show InChI InChI=1S/C14H14Br4N4/c15-8-9(16)11(18)13-12(10(8)17)19-14(20-13)22-6-5-21-3-1-7(22)2-4-21/h7H,1-6H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	32.7	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508554 (CHEMBL4459213) Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2cnccc2C(=O)NCC2COCCN2)cc2nccnc12 Show InChI InChI=1S/C28H27N7O2/c1-35-10-5-18-2-3-19(12-26(18)35)23-13-20(14-24-27(23)32-8-7-31-24)34-25-16-29-6-4-22(25)28(36)33-15-21-17-37-11-9-30-21/h2-8,10,12-14,16,21,30,34H,9,11,15,17H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508544 (CHEMBL4538989) Show SMILES CN1CCC(C1)NS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H28N6O2S/c1-33-13-10-21(18-33)32-37(35,36)27-6-4-3-5-24(27)31-22-16-23(28-25(17-22)29-11-12-30-28)20-8-7-19-9-14-34(2)26(19)15-20/h3-9,11-12,14-17,21,31-32H,10,13,18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508556 (CHEMBL4465233) Show SMILES Cn1cc(NC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1 Show InChI InChI=1S/C27H22N8O/c1-34-10-6-17-3-4-18(11-25(17)34)22-12-19(13-23-26(22)30-9-8-29-23)32-24-15-28-7-5-21(24)27(36)33-20-14-31-35(2)16-20/h3-16,32H,1-2H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508558 (CHEMBL4438803) Show SMILES CN1CCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3sc(N)nc3c2)c2nccnc2c1 Show InChI InChI=1S/C26H24N8OS/c1-34-9-5-16(14-34)32-25(35)18-4-6-28-13-22(18)31-17-11-19(24-21(12-17)29-7-8-30-24)15-2-3-23-20(10-15)33-26(27)36-23/h2-4,6-8,10-13,16,31H,5,9,14H2,1H3,(H2,27,33)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508563 (CHEMBL4576710) Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(=O)(=O)N2CCOCC2)cc2nccnc12 Show InChI InChI=1S/C27H25N5O3S/c1-31-11-8-19-6-7-20(16-25(19)31)22-17-21(18-24-27(22)29-10-9-28-24)30-23-4-2-3-5-26(23)36(33,34)32-12-14-35-15-13-32/h2-11,16-18,30H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108339 (US8604217, 343) Show SMILES CN(C)CCN1CCN(CC1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 Show InChI InChI=1S/C15H19Br4N5/c1-22(2)3-4-23-5-7-24(8-6-23)15-20-13-11(18)9(16)10(17)12(19)14(13)21-15/h3-8H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36.8	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM108362 (US8604217, 28) Show SMILES Brc1c(Br)c(Br)c2[nH]c(Nc3ccncc3)nc2c1Br Show InChI InChI=1S/C12H6Br4N4/c13-6-7(14)9(16)11-10(8(6)15)19-12(20-11)18-5-1-3-17-4-2-5/h1-4H,(H2,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	37.0	n/a	n/a	n/a	n/a	7.0	n/a
Selvita S.A. US Patent					Assay Description Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, hi...				US Patent US8604217 (2013) BindingDB Entry DOI: 10.7270/Q2RJ4H31
					More data for this Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (Homo sapiens (Human))	BDBM50508538 (CHEMBL4472403) Show SMILES CN1CCC(CC1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-35-12-7-21(8-13-35)34-29(37)23-5-9-30-18-26(23)33-22-16-24(28-25(17-22)31-10-11-32-28)20-4-3-19-6-14-36(2)27(19)15-20/h3-6,9-11,14-18,21,33H,7-8,12-13H2,1-2H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G...				Bioorg Med Chem Lett 29: 646-653 (2019) Article DOI: 10.1016/j.bmcl.2018.12.034 BindingDB Entry DOI: 10.7270/Q2BP0620
					More data for this Ligand-Target Pair

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