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BDBM11818 (3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-fluoro-6-hydroxybenzoyl]benzoylamino}azepan-3-yl)isonicotinamide hydrochloride::N-[(3R,4R)-4-[(4-{[3-(3,3-dimethylpiperidin-2-yl)-2-fluoro-6-hydroxyphenyl]carbonyl}benzene)amido]azepan-3-yl]pyridine-4-carboxamide hydrochloride::Protein Kinase B-Selective Inhibitor 2

SMILES: CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F

InChI Key: InChIKey=LLDRWTNKJQFSDC-BPDGCVPHNA-N

Data: 2 IC50

PDB links: 2 PDB IDs match this monomer.

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 2 hits for monomerid = 11818   
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM11818
PNG
((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...)
Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/s2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 2.40E+3n/an/an/an/a7.222



Max-Planck-Institut fuer Biochemie



Assay Description
In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a...


J Med Chem 48: 163-70 (2005)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q21C1V3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM11818
PNG
((3R,4R)-N-(4-{4-[3-(3,3-dimethylpiperidin-2-yl)-2-...)
Show SMILES CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
Show InChI InChI=1/C33H38FN5O4/c1-33(2)14-4-16-37-30(33)23-10-11-26(40)27(28(23)34)29(41)20-6-8-21(9-7-20)31(42)38-24-5-3-15-36-19-25(24)39-32(43)22-12-17-35-18-13-22/h6-13,17-18,24-25,30,36-37,40H,3-5,14-16,19H2,1-2H3,(H,38,42)(H,39,43)/t24-,25-,30?/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 750n/an/an/an/a7.522



Max-Planck-Institut fuer Biochemie



Assay Description
An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide...


J Med Chem 48: 163-70 (2005)


Article DOI: 10.1021/jm049701n
BindingDB Entry DOI: 10.7270/Q21C1V3S
More data for this
Ligand-Target Pair