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BDBM282437 (S)-3-(4-(4-amino-7- (3-methoxypropyl)- 7H-pyrrolo[2,3-d] pyrimidin-5-yl) benzylamino)-6- cyano-N-(1-(3,4-difluoro- phenyl)ethyl)pyrazine-2- carboxamide::US10030016, Example 317

SMILES: COCCCn1cc(-c2ccc(CNc3ncc(nc3C(=O)N[C@@H](C)c3ccc(F)c(F)c3)C#N)cc2)c2c(N)ncnc12

InChI Key: InChIKey=GQLZWWHGTCXWCH-SFHVURJKSA-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 = 282437   
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))
BDBM282437
PNG
((S)-3-(4-(4-amino-7- (3-methoxypropyl)- 7H-pyrrolo...)
Show SMILES COCCCn1cc(-c2ccc(CNc3ncc(nc3C(=O)N[C@@H](C)c3ccc(F)c(F)c3)C#N)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H29F2N9O2/c1-18(21-8-9-24(32)25(33)12-21)40-31(43)27-29(37-15-22(13-34)41-27)36-14-19-4-6-20(7-5-19)23-16-42(10-3-11-44-2)30-26(23)28(35)38-17-39-30/h4-9,12,15-18H,3,10-11,14H2,1-2H3,(H,36,37)(H,40,43)(H2,35,38,39)/t18-/m0/s1
PDB

GoogleScholar
AffyNet 
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