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BDBM50184769 CHEMBL3823212

SMILES: CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1

InChI Key: InChIKey=QZCWPDPWSBOTEU-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 = 50184769   
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))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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MMDB

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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 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))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
KEGG

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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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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n/an/a 6.58E+3n/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
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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n/an/a 71n/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
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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PC sid
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n/an/a 311n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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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 Src


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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n/an/a 126n/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 ABL1


(Homo sapiens (Human))
BDBM50184769
PNG
(CHEMBL3823212)
Show SMILES CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C21H29N7/c1-15-4-6-16(7-5-15)19-18-20(22)23-14-24-21(18)28(25-19)13-12-27-10-8-17(9-11-27)26(2)3/h4-7,14,17H,8-13H2,1-3H3,(H2,22,23,24)
PDB
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Reactome pathway
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n/an/a 6.32E+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