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BDBM50396312 CHEMBL2172637

SMILES: Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccccn12

InChI Key: InChIKey=OEQWYIZFUDGMEW-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 3 hits for monomerid = 50396312   
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 beta isoform


(Homo sapiens (Human))
BDBM50396312
PNG
(CHEMBL2172637)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccccn12
Show InChI InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kbeta by AlphaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50396312
PNG
(CHEMBL2172637)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccccn12
Show InChI InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)
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NCI pathway
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UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mTOR by LanthaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50396312
PNG
(CHEMBL2172637)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccccn12
Show InChI InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by AlphaScreen assay


Bioorg Med Chem Lett 22: 4967-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.033
BindingDB Entry DOI: 10.7270/Q2BK1DHN
More data for this
Ligand-Target Pair