Found 197 hits with Last Name = 'eggenweiler' and Initial = 'hm' 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) |
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 | |
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 | |
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 | |
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)) | 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) |
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 | |
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) |
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)) | 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 | |
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 | |
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)) | 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)) | 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)) | 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 | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508557
(CHEMBL4539068)Show SMILES Cn1cc(CNS(=O)(=O)c2ccccc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1 Show InChI InChI=1S/C28H25N7O2S/c1-34-12-9-20-7-8-21(13-26(20)34)23-14-22(15-25-28(23)30-11-10-29-25)33-24-5-3-4-6-27(24)38(36,37)32-17-19-16-31-35(2)18-19/h3-16,18,32-33H,17H2,1-2H3 | PDB
UniProtKB/SwissProt
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| 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 | |
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 | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508536
(CHEMBL4442954)Show SMILES CN1CCC(CC1=O)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H27N7O2/c1-35-11-6-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-10-9-31-24)33-25-17-30-8-5-22(25)29(38)34-20-7-12-36(2)27(37)16-20/h3-6,8-11,13-15,17,20,33H,7,12,16H2,1-2H3,(H,34,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | 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)) | BDBM50508530
(CHEMBL4458729)Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2cnccc2C(N)=O)cc2nccnc12 Show InChI InChI=1S/C23H18N6O/c1-29-9-5-14-2-3-15(10-21(14)29)18-11-16(12-19-22(18)27-8-7-26-19)28-20-13-25-6-4-17(20)23(24)30/h2-13,28H,1H3,(H2,24,30) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 49 | 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)) | BDBM50508545
(CHEMBL4591819)Show SMILES CN1CCCC(C1)NS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H30N6O2S/c1-34-14-5-6-22(19-34)33-38(36,37)28-8-4-3-7-25(28)32-23-17-24(29-26(18-23)30-12-13-31-29)21-10-9-20-11-15-35(2)27(20)16-21/h3-4,7-13,15-18,22,32-33H,5-6,14,19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | 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 | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386043
(CHEMBL2042883)Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H25ClN4O4S/c1-30(15-17-8-6-16(7-9-17)14-27-35(2,33)34)25(32)21-12-20-22(28-29-23(20)13-24(21)31)11-18-4-3-5-19(26)10-18/h3-10,12-13,27,31H,11,14-15H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508529
(CHEMBL4452425)Show SMILES CN(Cc1cncnc1)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H25N7O2S/c1-35-12-9-21-7-8-22(13-27(21)35)24-14-23(15-26-29(24)33-11-10-32-26)34-25-5-3-4-6-28(25)39(37,38)36(2)18-20-16-30-19-31-17-20/h3-17,19,34H,18H2,1-2H3 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | 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)) | BDBM50508555
(CHEMBL4578329)Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2cnccc2C(=O)NC2CCNC(=O)C2)cc2nccnc12 Show InChI InChI=1S/C28H25N7O2/c1-35-11-6-17-2-3-18(12-25(17)35)22-13-20(14-23-27(22)32-10-9-30-23)33-24-16-29-7-5-21(24)28(37)34-19-4-8-31-26(36)15-19/h2-3,5-7,9-14,16,19,33H,4,8,15H2,1H3,(H,31,36)(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | 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)) | BDBM50508561
(CHEMBL4448768)Show SMILES CC(=O)N1CC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C28H25N7O2/c1-17(36)35-15-21(16-35)33-28(37)22-5-7-29-14-25(22)32-20-12-23(27-24(13-20)30-8-9-31-27)19-4-3-18-6-10-34(2)26(18)11-19/h3-14,21,32H,15-16H2,1-2H3,(H,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | 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)) | BDBM50508551
(CHEMBL4439232)Show SMILES CN1CCC(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 Show InChI InChI=1S/C29H29N7O/c1-35-11-6-19(18-35)16-33-29(37)23-5-8-30-17-26(23)34-22-14-24(28-25(15-22)31-9-10-32-28)21-4-3-20-7-12-36(2)27(20)13-21/h3-5,7-10,12-15,17,19,34H,6,11,16,18H2,1-2H3,(H,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | 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)) | BDBM50508541
(CHEMBL4471750)Show SMILES CNC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C24H20N6O/c1-25-24(31)18-5-7-26-14-21(18)29-17-12-19(23-20(13-17)27-8-9-28-23)16-4-3-15-6-10-30(2)22(15)11-16/h3-14,29H,1-2H3,(H,25,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | 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)) | BDBM50508548
(CHEMBL4560682)Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(C)(=O)=O)cc2nccnc12 Show InChI InChI=1S/C24H20N4O2S/c1-28-12-9-16-7-8-17(13-22(16)28)19-14-18(15-21-24(19)26-11-10-25-21)27-20-5-3-4-6-23(20)31(2,29)30/h3-15,27H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 85 | 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)) | BDBM50508553
(CHEMBL4467929)Show SMILES CC(=O)N1CCOC(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 Show InChI InChI=1S/C30H29N7O3/c1-19(38)37-11-12-40-23(18-37)16-34-30(39)24-5-7-31-17-27(24)35-22-14-25(29-26(15-22)32-8-9-33-29)21-4-3-20-6-10-36(2)28(20)13-21/h3-10,13-15,17,23,35H,11-12,16,18H2,1-2H3,(H,34,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 93 | 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)) | BDBM50508546
(CHEMBL4452310)Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | 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)) | BDBM50508547
(CHEMBL4526513)Show SMILES CNS(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C24H21N5O2S/c1-25-32(30,31)23-6-4-3-5-20(23)28-18-14-19(24-21(15-18)26-10-11-27-24)17-8-7-16-9-12-29(2)22(16)13-17/h3-15,25,28H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 104 | 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)) | BDBM50508533
(CHEMBL4582425)Show SMILES CC(=O)N1CCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H27N7O2/c1-18(37)36-12-7-21(17-36)34-29(38)23-5-8-30-16-26(23)33-22-14-24(28-25(15-22)31-9-10-32-28)20-4-3-19-6-11-35(2)27(19)13-20/h3-6,8-11,13-16,21,33H,7,12,17H2,1-2H3,(H,34,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 105 | 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)) | BDBM50508539
(CHEMBL4462724)Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2cnccc2C(=O)NCc2cncnc2)cc2nccnc12 Show InChI InChI=1S/C28H22N8O/c1-36-9-5-19-2-3-20(10-26(19)36)23-11-21(12-24-27(23)33-8-7-32-24)35-25-16-29-6-4-22(25)28(37)34-15-18-13-30-17-31-14-18/h2-14,16-17,35H,15H2,1H3,(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 106 | 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)) | BDBM50508534
(CHEMBL4455839)Show SMILES CN1CC(CCC1=O)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H27N7O2/c1-35-12-8-18-3-4-19(13-26(18)35)23-14-21(15-24-28(23)32-11-10-31-24)33-25-16-30-9-7-22(25)29(38)34-20-5-6-27(37)36(2)17-20/h3-4,7-16,20,33H,5-6,17H2,1-2H3,(H,34,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 116 | 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)) | BDBM50508552
(CHEMBL4545900)Show SMILES CC(=O)N1CC(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1 Show InChI InChI=1S/C29H27N7O2/c1-18(37)36-16-19(17-36)14-33-29(38)23-5-7-30-15-26(23)34-22-12-24(28-25(13-22)31-8-9-32-28)21-4-3-20-6-10-35(2)27(20)11-21/h3-13,15,19,34H,14,16-17H2,1-2H3,(H,33,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 137 | 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 | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386053
(CHEMBL2042769)Show SMILES CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C26H28N4O4S/c1-17-5-4-6-20(11-17)12-23-21-13-22(25(31)14-24(21)29-28-23)26(32)30(2)16-19-9-7-18(8-10-19)15-27-35(3,33)34/h4-11,13-14,27,31H,12,15-16H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508528
(CHEMBL4535672)Show SMILES Cn1cc(CNC(=O)c2ccncc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)cn1 Show InChI InChI=1S/C28H24N8O/c1-35-10-6-19-3-4-20(11-26(19)35)23-12-21(13-24-27(23)31-9-8-30-24)34-25-16-29-7-5-22(25)28(37)32-14-18-15-33-36(2)17-18/h3-13,15-17,34H,14H2,1-2H3,(H,32,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 159 | 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 | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386047
(CHEMBL2042764)Show SMILES CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H21ClFN3O2/c1-14-4-3-5-15(8-14)10-21-17-11-18(23(30)12-22(17)28-27-21)24(31)29(2)13-16-6-7-19(25)20(26)9-16/h3-9,11-12,30H,10,13H2,1-2H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508550
(CHEMBL4579712)Show SMILES CN(C1CCN(C)C1)C(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-34-12-8-22(18-34)36(3)29(37)23-6-9-30-17-26(23)33-21-15-24(28-25(16-21)31-10-11-32-28)20-5-4-19-7-13-35(2)27(19)14-20/h4-7,9-11,13-17,22,33H,8,12,18H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 176 | 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 | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386051
(CHEMBL2042767)Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-6-4-7-17(10-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-18-8-5-9-19(11-18)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386005
(CHEMBL2042895)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(CCc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-27(16-18-10-6-3-7-11-18)24(29)20-14-19-21(25-26-22(19)15-23(20)28)13-12-17-8-4-2-5-9-17/h2-11,14-15,28H,12-13,16H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386031
(CHEMBL2042870)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23N3O2/c1-16-7-6-10-18(11-16)12-21-19-13-20(23(28)14-22(19)26-25-21)24(29)27(2)15-17-8-4-3-5-9-17/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508549
(CHEMBL4542522)Show SMILES Cn1ccc2ccc(cc12)-c1cc(Nc2ccccc2S(N)(=O)=O)cc2nccnc12 Show InChI InChI=1S/C23H19N5O2S/c1-28-11-8-15-6-7-16(12-21(15)28)18-13-17(14-20-23(18)26-10-9-25-20)27-19-4-2-3-5-22(19)31(24,29)30/h2-14,27H,1H3,(H2,24,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 265 | 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 | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386018
(CHEMBL2042857)Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-16-7-9-17(24)10-8-16)23(29)19-12-18-20(11-15-5-3-2-4-6-15)25-26-21(18)13-22(19)28/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386052
(CHEMBL2042768)Show SMILES CN(Cc1ccc(NS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H26N4O4S/c1-16-5-4-6-18(11-16)12-22-20-13-21(24(30)14-23(20)27-26-22)25(31)29(2)15-17-7-9-19(10-8-17)28-34(3,32)33/h4-11,13-14,28,30H,12,15H2,1-3H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386044
(CHEMBL2042761)Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H22FN3O2/c1-15-5-3-6-16(9-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-17-7-4-8-18(25)10-17/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386021
(CHEMBL2042860)Show SMILES CCc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O2/c1-3-17-9-11-19(12-10-17)16-28(2)25(30)21-14-20-22(13-18-7-5-4-6-8-18)26-27-23(20)15-24(21)29/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386029
(CHEMBL2042868)Show SMILES CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C23H20ClN3O2/c1-27(14-15-6-3-2-4-7-15)23(29)19-12-18-20(25-26-21(18)13-22(19)28)11-16-8-5-9-17(24)10-16/h2-10,12-13,28H,11,14H2,1H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50386042
(CHEMBL2042882)Show SMILES CN(Cc1cccc(NS(C)(=O)=O)c1)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O Show InChI InChI=1S/C24H23ClN4O4S/c1-29(14-16-6-4-8-18(10-16)28-34(2,32)33)24(31)20-12-19-21(26-27-22(19)13-23(20)30)11-15-5-3-7-17(25)9-15/h3-10,12-13,28,30H,11,14H2,1-2H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting |
Bioorg Med Chem Lett 22: 4396-403 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC |
More data for this
Ligand-Target Pair | |
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