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BDBM16219 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine::pyrazole-based inhibitor 9

SMILES: Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1

InChI Key: InChIKey=LZMOSYUFVYJEPY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 16219   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM16219
PNG
(4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]pi...)
Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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UniChem

Patents


Similars

AffyNet 
DrugBank
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PDB
Article
PubMed
n/an/a 18n/an/an/an/a7.222



Astex



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)