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BDBM50396309 CHEMBL2172640

SMILES: Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1ccncc1

InChI Key: InChIKey=LDNZOZBLULAYOM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50396309   
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))
BDBM50396309
PNG
(CHEMBL2172640)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1ccncc1
Show InChI InChI=1S/C19H16N10/c1-11-23-17(27-19(20)24-11)16-18(25-14-6-9-22-28-14)26-15-3-2-13(10-29(15)16)12-4-7-21-8-5-12/h2-10H,1H3,(H2,22,25,28)(H2,20,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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))
BDBM50396309
PNG
(CHEMBL2172640)
Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1ccncc1
Show InChI InChI=1S/C19H16N10/c1-11-23-17(27-19(20)24-11)16-18(25-14-6-9-22-28-14)26-15-3-2-13(10-29(15)16)12-4-7-21-8-5-12/h2-10H,1H3,(H2,22,25,28)(H2,20,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 306n/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