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BDBM11819 (3R,4R)-N-{4-[4-(2-hydroxy-5-piperidin-1-ylbenzoyl)benzoylamino]azepan-3-yl}isonicotinamide hydrochloride::N-[(3R,4R)-4-[(4-{[2-hydroxy-5-(piperidin-1-yl)phenyl]carbonyl}benzene)amido]azepan-3-yl]pyridine-4-carboxamide hydrochloride::Protein Kinase B-Selective Inhibitor 3

SMILES: Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1

InChI Key: InChIKey=VXVVBHZWCMDJPJ-OBXPXUJENA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 = 11819   
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))
BDBM11819
PNG
((3R,4R)-N-{4-[4-(2-hydroxy-5-piperidin-1-ylbenzoyl...)
Show SMILES Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r|
Show InChI InChI=1/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

n/an/a 400n/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...


Citation and Details
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM11819
PNG
((3R,4R)-N-{4-[4-(2-hydroxy-5-piperidin-1-ylbenzoyl...)
Show SMILES Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r|
Show InChI InChI=1/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

n/an/a 20n/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...


Citation and Details
More data for this
Ligand-Target Pair