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BDBM50184774 CHEMBL3799221

SMILES: CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC

InChI Key: InChIKey=PABMYTICQCKZAG-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50184774   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
PDB
MMDB

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PC sid
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n/an/a 328n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human mTOR using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
KEGG

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PC sid
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n/an/a>1n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human ABL using EAIYAAPFAKKK as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
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n/an/a 566n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human YES using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P] ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
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PC sid
UniChem
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n/an/a>1n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human KIT using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
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n/an/a 598n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human RET using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
PDB
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KEGG

UniProtKB/SwissProt

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n/an/a 2.45E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as substrate meas...


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50184774
PNG
(CHEMBL3799221)
Show SMILES CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
Show InChI InChI=1S/C18H21N7O2/c1-3-26-13(27-4-2)9-25-18-14(16(19)22-10-23-18)15(24-25)12-7-11-5-6-20-17(11)21-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,21)(H2,19,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
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n/an/a 1.23E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human FYN using poly[Glu,Tyr]4:1 as substrate in presence of [gamma-33P]ATP


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair