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BDBM50315080 4-(3-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)ureido)-N-(2-(dimethylamino)ethyl)benzamide::CHEMBL1091714

SMILES: C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1C2CCC1COC2

InChI Key: InChIKey=CKBQNLZZMPQJMA-QJYLRPAKSA-N

Data: 2 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 2 hits for monomerid = 50315080   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315080
PNG
(4-(3-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1C2CCC1COC2
Show InChI InChI=1S/C32H41N9O4/c1-21-18-44-17-16-40(21)30-36-28(37-31(38-30)41-26-12-13-27(41)20-45-19-26)22-4-8-24(9-5-22)34-32(43)35-25-10-6-23(7-11-25)29(42)33-14-15-39(2)3/h4-11,21,26-27H,12-20H2,1-3H3,(H,33,42)(H2,34,35,43)/t21-,26?,27?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha after 15 to 30 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315080
PNG
(4-(3-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6...)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCCN(C)C)cc1)N1C2CCC1COC2
Show InChI InChI=1S/C32H41N9O4/c1-21-18-44-17-16-40(21)30-36-28(37-31(38-30)41-26-12-13-27(41)20-45-19-26)22-4-8-24(9-5-22)34-32(43)35-25-10-6-23(7-11-25)29(42)33-14-15-39(2)3/h4-11,21,26-27H,12-20H2,1-3H3,(H,33,42)(H2,34,35,43)/t21-,26?,27?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2648-53 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.031
BindingDB Entry DOI: 10.7270/Q2DZ08GK
More data for this
Ligand-Target Pair