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BDBM282435 (S)-3-(4-(4-amino-7H- pyrrolo[2,3-d]pyrimidin- 5-yl)benzylamino)-6- cyano-N-(1-(3,4-difluoro- phenyl)ethyl)pyrazine-2- carboxamide::US10030016, Example 315

SMILES: C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1c[nH]c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1

InChI Key: InChIKey=YKKMAUMRPSPIKM-AWEZNQCLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 282435   
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
3-phosphoinositide-dependent protein kinase 1 (51-359)


(Homo sapiens (Human))
BDBM282435
PNG
((S)-3-(4-(4-amino-7H- pyrrolo[2,3-d]pyrimidin- 5-y...)
Show SMILES C[C@H](NC(=O)c1nc(cnc1NCc1ccc(cc1)-c1c[nH]c2ncnc(N)c12)C#N)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H21F2N9O/c1-14(17-6-7-20(28)21(29)8-17)37-27(39)23-26(33-11-18(9-30)38-23)32-10-15-2-4-16(5-3-15)19-12-34-25-22(19)24(31)35-13-36-25/h2-8,11-14H,10H2,1H3,(H,32,33)(H,37,39)(H3,31,34,35,36)/t14-/m0/s1
PDB

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc.

US Patent


Assay Description
PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...


US Patent US10030016 (2018)

More data for this
Ligand-Target Pair