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BDBM116008 US8633183, E-157

SMILES: CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1

InChI Key: InChIKey=YTIWEKXIPWJYGB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 116008   
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))
BDBM116008
PNG
(US8633183, E-157)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H20ClFN8O/c1-2-20-17(5-3-15-4-6-21(28)29-11-15)24(31-13-30-20)16-9-18(26)23(19(27)10-16)25(36)34-7-8-35-14-32-33-22(35)12-34/h4,6,9-11,13-14H,2,7-8,12H2,1H3,(H2,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.590n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM116008
PNG
(US8633183, E-157)
Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Show InChI InChI=1S/C25H20ClFN8O/c1-2-20-17(5-3-15-4-6-21(28)29-11-15)24(31-13-30-20)16-9-18(26)23(19(27)10-16)25(36)34-7-8-35-14-32-33-22(35)12-34/h4,6,9-11,13-14H,2,7-8,12H2,1H3,(H2,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 37.5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...


US Patent US8633183 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BW4
More data for this
Ligand-Target Pair