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SMILES: OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O

InChI Key: InChIKey=MUYUYVKICVQLDQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139826   
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))		BDBM139826
PNG
(US8895581, III-12)
Show SMILES OCCn1cnc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccccc2)c1=O
Show InChI InChI=1S/C28H23N5O3/c34-15-14-33-19-31-25-17-30-24-11-10-20(16-23(24)26(25)33)8-4-12-29-27(35)22-9-5-13-32(28(22)36)18-21-6-2-1-3-7-21/h1-3,5-7,9-11,13,16-17,19,34H,12,14-15,18H2,(H,29,35)
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MMDB

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Similars
US Patent
n/an/a 68n/an/an/an/a7.5n/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