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BDBM207113 US9260439, 90

SMILES: C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1C[C@@H](C1)N(C)S(C)(=O)=O

InChI Key: InChIKey=LBDHULBJSFPHAJ-BPUTZDHNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 207113   
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
p110α/p85α


(Homo sapiens (Human))		BDBM207113
PNG
(US9260439, 90)
Show SMILES C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1C[C@@H](C1)N(C)S(C)(=O)=O |r,wU:1.0,25.31,wD:23.26,(-2.26,-3.57,;-3.59,-2.8,;-4.93,-3.57,;-6.26,-2.8,;-6.26,-1.26,;-4.93,-.49,;-3.59,-1.26,;-2.26,-.49,;-.93,-1.26,;.41,-.49,;1.87,-.96,;2.78,.28,;1.87,1.53,;.41,1.05,;-.93,1.82,;-2.26,1.05,;-.93,3.36,;.41,4.13,;.41,5.67,;-.93,6.44,;-.93,7.98,;-2.26,5.67,;-2.26,4.13,;2.27,-2.45,;1.5,-3.79,;2.83,-4.56,;3.6,-3.22,;3.23,-6.04,;2.14,-7.13,;4.72,-6.44,;4.72,-7.98,;6.26,-6.44,;5.49,-5.11,)|
Show InChI InChI=1S/C21H30N8O3S/c1-13-12-32-7-6-28(13)21-25-18(14-10-23-20(22)24-11-14)17-4-5-29(19(17)26-21)16-8-15(9-16)27(2)33(3,30)31/h10-11,13,15-16H,4-9,12H2,1-3H3,(H2,22,23,24)/t13-,15-,16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
 0.403n/an/an/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
PI3KA_FL: Genes encoding for full length p110alpha and p85alpha subunits of PI3Kalpha complex were subcloned from existing constructs into pFASTBAC D...

US Patent US9260439 (2016)


BindingDB Entry DOI: 10.7270/Q2VH5MPV
More data for this
Ligand-Target Pair