BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'fang' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Methionine synthase


(Homo sapiens (Human))
BDBM66082
PNG
((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 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 0n/an/an/an/an/an/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
PNG
(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 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/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
PNG
(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/an/a 1n/an/an/an/an/an/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
PNG
(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 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/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
PNG
(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 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/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
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50551257
PNG
(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/an/a 3.70n/an/an/an/an/an/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
PNG
(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 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/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
PNG
(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/an/a 5.40n/an/an/an/an/an/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
PNG
(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/an/a 5.40n/an/an/an/an/an/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
PNG
(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/an/a 6.5n/an/an/an/an/an/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
PNG
(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/an/a 7n/an/an/an/an/an/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
PNG
(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/an/a 9.40n/an/an/an/an/an/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
PNG
(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/an/a 9.60n/an/an/an/an/an/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
PNG
(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/an/a 9.60n/an/an/an/an/an/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
PNG
(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 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 11.1n/an/an/an/an/a25



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
PNG
(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 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.0n/an/an/an/an/a25



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
PNG
(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/an/a 13n/an/an/an/an/an/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
PNG
(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/an/a 15n/an/an/an/an/an/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
PNG
(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/an/a 16n/an/an/an/an/an/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
PNG
(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/an/a 20n/an/an/an/an/an/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
PNG
((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 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
PDB
Article
PubMed
n/an/a 35n/an/an/an/an/an/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
3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50551261
PNG
(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/an/a 38n/an/an/an/an/an/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
PNG
(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/an/a 43n/an/an/an/an/an/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
PNG
(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/an/a 45n/an/an/an/an/an/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
PNG
(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/an/a 48n/an/an/an/an/an/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
PNG
(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/an/a 57n/an/an/an/an/an/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
PNG
(CHEMBL4226361)
Show SMILES Nc1nc(N)c2nc(CCCc3ccccc3)ccc2n1
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/an/a 60n/an/an/an/an/an/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
PNG
(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/an/a 87n/an/an/an/an/an/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
PNG
(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/an/a 91n/an/an/an/an/an/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
PNG
(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/an/a 98n/an/an/an/an/an/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
PNG
(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/an/a 113n/an/an/an/an/an/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
PNG
(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/an/a 136n/an/an/an/an/an/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
PNG
(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/an/a 174n/an/an/an/an/an/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
PNG
(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/an/a 178n/an/an/an/an/an/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
PNG
(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/an/a 216n/an/an/an/an/an/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
PNG
(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/an/a 221n/an/an/an/an/an/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
PNG
(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/an/a 333n/an/an/an/an/an/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
PNG
(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/an/a 370n/an/an/an/an/an/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
PNG
((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/an/a 380n/an/an/an/an/an/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
3D Structure (crystal)
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50234995
PNG
(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/an/a 386n/an/an/an/an/an/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
PNG
(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/an/a 396n/an/an/an/an/an/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
PNG
(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/an/a 406n/an/an/an/an/an/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
PNG
(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/an/a 441n/an/an/an/an/an/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
PNG
(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/an/a 444n/an/an/an/an/an/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
PNG
(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/an/a 450n/an/an/an/an/an/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
PNG
(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/an/a 478n/an/an/an/an/an/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
PNG
(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/an/a 504n/an/an/an/an/an/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
PNG
(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/an/a 540n/an/an/an/an/an/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
PNG
(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/an/a 558n/an/an/an/an/an/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
PNG
(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/an/a 570n/an/an/an/an/an/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
Displayed 1 to 50 (of 152 total )  |  Next  |  Last  >>
Jump to: