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SMILES: C[C@H](Nc1ncnc(N)c1-c1cnn(CCO)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=IPQOZTKCGDRACV-INIZCTEOSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236958   
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 delta isoform


(Homo sapiens (Human))		BDBM236958
PNG
(US9388189, 116)
Show SMILES C[C@H](Nc1ncnc(N)c1-c1cnn(CCO)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C24H25N9O2/c1-15-8-9-32-20(15)24(35)33(18-6-4-3-5-7-18)23(30-32)16(2)29-22-19(21(25)26-14-27-22)17-12-28-31(13-17)10-11-34/h3-9,12-14,16,34H,10-11H2,1-2H3,(H3,25,26,27,29)/t16-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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US Patent
n/an/a 1n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...

US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair