BindingDB logo
myBDB logout

PubMed code 25086238

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
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 130n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
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 5.80E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
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>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of mTOR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
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>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of C-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
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>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of B-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (Human))
BDBM50055864
PNG
(CHEMBL3326099)
Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay


Eur J Med Chem 85: 215-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.099
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%