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SMILES: CC[C@H](Nc1ncnc(N)c1-c1ncn(C)n1)c1nc2cccc(Cl)c2c(=O)n1C1CC1

InChI Key: InChIKey=XTRGHZGHSYZOMB-ZDUSSCGKSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 189833   
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/delta isoform


(Homo sapiens (Human))		BDBM189833
PNG
(US9670194, Ex. 53 (S)-2-(1-((6-amino-5-(1-methyl-1...)
Show SMILES CC[C@H](Nc1ncnc(N)c1-c1ncn(C)n1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
Show InChI InChI=1S/C21H22ClN9O/c1-3-13(27-18-16(17(23)24-9-25-18)19-26-10-30(2)29-19)20-28-14-6-4-5-12(22)15(14)21(32)31(20)11-7-8-11/h4-6,9-11,13H,3,7-8H2,1-2H3,(H3,23,24,25,27)/t13-/m0/s1
PDB

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PC cid
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US Patent
n/an/a 239n/an/an/an/an/a25



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
PI3K (p110α/p85α) (h) is incubated in assay buffer containing 10 μM phosphatidylinositol 4,5-bisphosphate and MgATP (concentration as ...

US Patent US9670194 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0S1D
More data for this
Ligand-Target Pair