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BDBM272992 (S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10- tetrahydro-6-oxa-2,10a- diazacycloocta[cd]inden- 4-yl)oxy)propanoic acid::US10065970, Example 297::US10435414, Example 297

SMILES: C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(O)=O

InChI Key: InChIKey=VACZFGMAUUOUDL-NSHDSACASA-N

Data: 2 KI

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 = 272992   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PI3-kinase class I


(Homo sapiens (Human))
BDBM272992
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(O)=O
Show InChI InChI=1S/C21H20N4O5/c1-11(20(26)27)29-13-9-15-18-17(10-13)28-7-3-2-6-25(18)19(23-15)12-4-5-16-14(8-12)24-21(22)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,24)(H,26,27)/t11-/m0/s1
PDB

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PC cid
PC sid
UniChem
US Patent
2.23n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10435414 (2019)


BindingDB Entry DOI: 10.7270/Q2GX4DXV
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM272992
PNG
((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...)
Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(O)=O
Show InChI InChI=1S/C21H20N4O5/c1-11(20(26)27)29-13-9-15-18-17(10-13)28-7-3-2-6-25(18)19(23-15)12-4-5-16-14(8-12)24-21(22)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,24)(H,26,27)/t11-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.23n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...


US Patent US10065970 (2018)


BindingDB Entry DOI: 10.7270/Q27P91FB
More data for this
Ligand-Target Pair