Found 152 hits with Last Name = 'fang' and Initial = 'f' 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 |
Methionine synthase
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human Cobalamin-dependent methionine synthase isolated from HL-60 cells using methyltetrahydrofolate as substrate incubated for 10 mins... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112113 BindingDB Entry DOI: 10.7270/Q2DJ5KCQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551259
(CHEMBL4749200)Show SMILES Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234994
(CHEMBL4063211)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551257
(CHEMBL4794028)Show SMILES Nc1ncnc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50551259
(CHEMBL4749200)Show SMILES Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 2 ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of RSK1 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551256
(CHEMBL4748095)Show SMILES Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235015
(CHEMBL4091089)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)10-11-37-17-22(15-35-37)20-8-9-38-25(16-34-27(38)14-20)21-6-7-24(28(33)39)26(13-21)40-18-19-4-3-5-23(12-19)29(30,31)32/h3-9,12-17H,10-11,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551255
(CHEMBL4755258)Show SMILES Cc1nc(N)nc(N2CC3(CC3)C[C@H]2c2nc3cccc(F)c3c(=O)n2-c2ccccc2)c1C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551258
(CHEMBL4790789)Show SMILES Cc1nc(N)nc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c1C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551260
(CHEMBL4740174)Show SMILES Nc1ncnc(N2CC3(CC3)C[C@H]2c2nc3ccc(F)cc3c(=O)n2-c2ccccc2)c1C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM172038
(US10155002, Compound 44 | US10647700, Compound EPZ...)Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | 25 |
Epizyme, Inc.; Eisai R&D Management Co., LTD.
US Patent
| Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use.... |
US Patent US9394283 (2016)
BindingDB Entry DOI: 10.7270/Q2WM1C8D |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM172038
(US10155002, Compound 44 | US10647700, Compound EPZ...)Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 13.0 | n/a | n/a | n/a | n/a | n/a | 25 |
Epizyme, Inc.; Eisai R&D Management Co., LTD.
US Patent
| Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use.... |
US Patent US9394283 (2016)
BindingDB Entry DOI: 10.7270/Q2WM1C8D |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551248
(CHEMBL4760138)Show SMILES Clc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551254
(CHEMBL4761067)Show SMILES Nc1ncnc(N2CC3(CC3)C[C@H]2c2nc3cccc(F)c3c(=O)n2-c2ccccc2)c1C#N |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551249
(CHEMBL4755983)Show SMILES Cc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of ABL (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM66082
((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Perking University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPH |
Bioorg Med Chem 26: 2674-2685 (2018)
Article DOI: 10.1016/j.bmc.2018.04.035 BindingDB Entry DOI: 10.7270/Q2KS6V64 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551261
(CHEMBL4755644)Show SMILES Fc1nc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551247
(CHEMBL4755649)Show SMILES Fc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214679
(US9284330, S29)Show SMILES COC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C23H26N4O4/c1-12-17(22(28)31-4)18(13-6-5-7-14(10-13)27(29)30)19-20(24)15-11-23(2,3)9-8-16(15)26-21(19)25-12/h5-7,10,18H,8-9,11H2,1-4H3,(H3,24,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551250
(CHEMBL4789993)Show SMILES Fc1ccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c2c1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50461747
(CHEMBL4226361)Show InChI InChI=1S/C16H17N5/c17-15-14-13(20-16(18)21-15)10-9-12(19-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H4,17,18,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Perking University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DHFR using dihydrofolate as substrate after 15 mins in presence of NADPH |
Bioorg Med Chem 26: 2674-2685 (2018)
Article DOI: 10.1016/j.bmc.2018.04.035 BindingDB Entry DOI: 10.7270/Q2KS6V64 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235007
(CHEMBL4087758)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of GSK3beta (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50390673
(CHEMBL2070198)Show SMILES Brc1cccc(Nc2ncnc3ccc(NCc4ccc5OCCCOc5c4)cc23)c1 Show InChI InChI=1S/C24H21BrN4O2/c25-17-3-1-4-19(12-17)29-24-20-13-18(6-7-21(20)27-15-28-24)26-14-16-5-8-22-23(11-16)31-10-2-9-30-22/h1,3-8,11-13,15,26H,2,9-10,14H2,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human A431 cell lysate using tyrosine/glutamic acid polymer as substrate by ELISA |
Bioorg Med Chem Lett 22: 5870-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.079 BindingDB Entry DOI: 10.7270/Q26T0NRG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50551248
(CHEMBL4760138)Show SMILES Clc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length His-tagged p110gamma expressed in baculovirus expression system using PIP2 as substrate measured after 2 ... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214678
(US9284330, S28)Show SMILES CN(C)CCOC(=O)C1=C(C)Nc2nc3CCC(F)(F)Cc3c(N)c2C1c1ccccc1 |c:8| Show InChI InChI=1S/C24H28F2N4O2/c1-14-18(23(31)32-12-11-30(2)3)19(15-7-5-4-6-8-15)20-21(27)16-13-24(25,26)10-9-17(16)29-22(20)28-14/h4-8,19H,9-13H2,1-3H3,(H3,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 136 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit beta/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50551259
(CHEMBL4749200)Show SMILES Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110beta/p85beta expressed in baculovirus expression system using PIP2 as substrate measu... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214677
(US9284330, S27)Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(C)Cc3c(N)c2C1c1ccccc1OC |c:5| Show InChI InChI=1S/C24H29N3O3/c1-5-30-24(28)19-14(3)26-23-21(20(19)15-8-6-7-9-18(15)29-4)22(25)16-12-13(2)10-11-17(16)27-23/h6-9,13,20H,5,10-12H2,1-4H3,(H3,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50390674
(CHEMBL2070199)Show SMILES Clc1cccc(Nc2ncnc3ccc(NCc4ccc5OCCCOc5c4)cc23)c1 Show InChI InChI=1S/C24H21ClN4O2/c25-17-3-1-4-19(12-17)29-24-20-13-18(6-7-21(20)27-15-28-24)26-14-16-5-8-22-23(11-16)31-10-2-9-30-22/h1,3-8,11-13,15,26H,2,9-10,14H2,(H,27,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human A431 cell lysate using tyrosine/glutamic acid polymer as substrate by ELISA |
Bioorg Med Chem Lett 22: 5870-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.079 BindingDB Entry DOI: 10.7270/Q26T0NRG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50551259
(CHEMBL4749200)Show SMILES Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 221 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant N-terminal His-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as su... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214669
(US9284330, S19)Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(Cl)(Cl)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C22H22Cl2N4O4/c1-3-32-21(29)16-11(2)26-20-18(17(16)12-5-4-6-13(9-12)28(30)31)19(25)14-10-22(23,24)8-7-15(14)27-20/h4-6,9,17H,3,7-8,10H2,1-2H3,(H3,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 333 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM18795
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human thymidylate synthase by spectrophotometric analysis |
Bioorg Med Chem 21: 2286-97 (2013)
Article DOI: 10.1016/j.bmc.2013.02.008 BindingDB Entry DOI: 10.7270/Q2FN17K3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50234995
(CHEMBL4105643)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)20-9-10-38-25(16-34-27(38)14-20)21-5-8-24(28(33)39)26(13-21)40-18-19-3-6-23(7-4-19)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 386 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551252
(CHEMBL4795822)Show SMILES Fc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(C3CCCC3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 396 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551262
(CHEMBL4799836)Show SMILES Clc1nc(N2CC3(CC3)C[C@H]2c2nc3cccc(Cl)c3c(=O)n2-c2ccccc2)c2nc[nH]c2n1 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 406 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50234990
(CHEMBL4062453)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)10-11-34-17-22(15-32-34)20-8-9-35-25(16-31-27(35)14-20)21-6-7-24(28(30)36)26(13-21)37-18-19-4-3-5-23(29)12-19/h3-9,12-17H,10-11,18H2,1-2H3,(H2,30,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of CDK4 (unknown origin) |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50551253
(CHEMBL4742899)Show SMILES Fc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(C3CCCCC3)c(=O)c12 |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 444 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human full-length recombinant His-tagged PI3K p110delta/p85alpha expressed in baculovirus expression system using PIP2 as substrate mea... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112143 BindingDB Entry DOI: 10.7270/Q28D00WW |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214672
(US9284330, S22)Show SMILES COC(=O)C1=C(C)Nc2nc3CCSCc3c(N)c2C1c1ccccc1 |c:4| Show InChI InChI=1S/C20H21N3O2S/c1-11-15(20(24)25-2)16(12-6-4-3-5-7-12)17-18(21)13-10-26-9-8-14(13)23-19(17)22-11/h3-7,16H,8-10H2,1-2H3,(H3,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Nek2
(Homo sapiens (Human)) | BDBM50235003
(CHEMBL4101298)Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C29H27F3N6O2/c1-36(2)11-12-37-17-22(15-35-37)19-9-10-38-25(16-34-27(38)14-19)20-7-8-23(28(33)39)26(13-20)40-18-21-5-3-4-6-24(21)29(30,31)32/h3-10,13-17H,11-12,18H2,1-2H3,(H2,33,39) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 478 | n/a | n/a | n/a | n/a | n/a | n/a |
East China Normal University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs... |
Eur J Med Chem 126: 1083-1106 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214668
(US9284330, S18)Show SMILES CCOC(=O)C1=C(C)Nc2nc3CCC(F)(F)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O |c:5| Show InChI InChI=1S/C22H22F2N4O4/c1-3-32-21(29)16-11(2)26-20-18(17(16)12-5-4-6-13(9-12)28(30)31)19(25)14-10-22(23,24)8-7-15(14)27-20/h4-6,9,17H,3,7-8,10H2,1-2H3,(H3,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 504 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214673
(US9284330, S23)Show SMILES CCOC(=O)C1=C(Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(c1)[N+]([O-])=O)C(F)(F)F |t:5| Show InChI InChI=1S/C24H25F3N4O4/c1-4-35-22(32)18-16(12-6-5-7-13(10-12)31(33)34)17-19(28)14-11-23(2,3)9-8-15(14)29-21(17)30-20(18)24(25,26)27/h5-7,10,16H,4,8-9,11H2,1-3H3,(H3,28,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM214652
(US9284330, S2)Show SMILES CC(C)OC(=O)C1=C(C)Nc2nc3CCC(C)(C)Cc3c(N)c2C1c1cccc(F)c1 |c:6| Show InChI InChI=1S/C25H30FN3O2/c1-13(2)31-24(30)19-14(3)28-23-21(20(19)15-7-6-8-16(26)11-15)22(27)17-12-25(4,5)10-9-18(17)29-23/h6-8,11,13,20H,9-10,12H2,1-5H3,(H3,27,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 558 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu Simovay Pharmaceutical Co., Ltd.
US Patent
| Assay Description Procedure: 48 Ml 1xReaction Buffer was initially added to each compound test well in the 96-well black plate arranged, followed by addition of 2 Ml 1... |
US Patent US9284330 (2016)
BindingDB Entry DOI: 10.7270/Q23F4NGP |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50390670
(CHEMBL2070191)Show SMILES Clc1cccc(Nc2ncnc3ccc(NCc4ccc5OCOc5c4)cc23)c1 Show InChI InChI=1S/C22H17ClN4O2/c23-15-2-1-3-17(9-15)27-22-18-10-16(5-6-19(18)25-12-26-22)24-11-14-4-7-20-21(8-14)29-13-28-20/h1-10,12,24H,11,13H2,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of EGFR in human A431 cell lysate using tyrosine/glutamic acid polymer as substrate by ELISA |
Bioorg Med Chem Lett 22: 5870-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.079 BindingDB Entry DOI: 10.7270/Q26T0NRG |
More data for this Ligand-Target Pair | |