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BDBM9048 US8536193, 10-5

SMILES: N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1

InChI Key: InChIKey=KCSVSPPGRPELGP-OGESRWMOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9048   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM9048
PNG
(US8536193, 10-5)
Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:3.6,1.0,wD:3.3,(13.13,-7.57,;11.8,-6.8,;10.71,-5.71,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.03,-3.29,;9.69,-2.52,;11.03,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-
PDB

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Similars
US Patent
n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD K.K.

US Patent


Assay Description
Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...

US Patent US8536193 (2013)


BindingDB Entry DOI: 10.7270/Q2NK3CP1
More data for this
Ligand-Target Pair