Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50044895 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25028
(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
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified PI3Kalpha (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM16673
(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
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified C-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(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
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified B-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified PI3Kalpha (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified mTOR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified FLT3 (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified KIT (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified C-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified PDGFRbeta (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1/2/3
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified VEGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified KDR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified B-Raf (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50035526
(CHEMBL3343621)Show SMILES Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3sccc3n2)cc(C)c1O Show InChI InChI=1S/C26H26N6O3S/c1-16-13-18(14-17(2)22(16)33)15-27-31-26(34)28-20-5-3-19(4-6-20)24-29-21-7-12-36-23(21)25(30-24)32-8-10-35-11-9-32/h3-7,12-15,33H,8-11H2,1-2H3,(H2,28,31,34)/b27-15+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of purified EGFR (unknown origin) after 30 mins by homogeneous time-resolved fluorescence assay |
Eur J Med Chem 87: 782-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.022
BindingDB Entry DOI: 10.7270/Q22Z174Z |
More data for this
Ligand-Target Pair | |
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