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BDBM139842 US8895581, III-28

SMILES: Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O

InChI Key: InChIKey=ZBMVFDHMGCTDME-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139842   
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


(Homo sapiens (human))
BDBM139842
PNG
(US8895581, III-28)
Show SMILES Cc1nc2cnc3ccc(cc3c2n1C1CCCOC1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C31H26F2N6O3/c1-19-37-28-15-36-27-9-7-20(12-23(27)29(28)39(19)22-5-3-11-42-17-22)4-2-10-35-30(40)24-14-34-18-38(31(24)41)16-21-6-8-25(32)26(33)13-21/h6-9,12-15,18,22H,3,5,10-11,16-17H2,1H3,(H,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...


US Patent US8895581 (2014)


BindingDB Entry DOI: 10.7270/Q2HM5742
More data for this
Ligand-Target Pair