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SMILES: C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=GKZRKMFWLGFQKM-IBGZPJMESA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341225   
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))		BDBM341225
PNG
((S)-2,4-diamino-6-((1-(5-(3-(2,2-dimethylmorpholin...)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(CCCN3CCOC(C)(C)C3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C30H35N9O2/c1-19(34-26-22(17-31)25(32)36-29(33)37-26)27-35-23-13-7-9-20(10-8-14-38-15-16-41-30(2,3)18-38)24(23)28(40)39(27)21-11-5-4-6-12-21/h4-7,9,11-13,19H,8,10,14-16,18H2,1-3H3,(H5,32,33,34,36,37)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



GILEAD SCIENCES, INC.

US Patent


Assay Description
TR-FRET monitored the formation of 3,4,5-inositol triphosphate molecule that competed with fluorescently labeled PIP3 for binding to the GRP-1 plecks...

US Patent US9765060 (2017)


BindingDB Entry DOI: 10.7270/Q2DZ0BDH
More data for this
Ligand-Target Pair