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BDBM50294819 CHEMBL564157::N-Cyclohexyl-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzamide

SMILES: Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1

InChI Key: InChIKey=WDGUVXTVTKEOJS-GASCZTMLSA-N

Data: 2 EC50

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 = 50294819   
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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294819
PNG
(CHEMBL564157 | N-Cyclohexyl-4-((1R,2S,6R,7S)-3,5-d...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1 |r,c:6|
Show InChI InChI=1S/C22H24N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h6-11,14-16,26-27H,1-5,12H2,(H,23,25)/t14-,15+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294819
PNG
(CHEMBL564157 | N-Cyclohexyl-4-((1R,2S,6R,7S)-3,5-d...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)NC1CCCCC1 |r,c:6|
Show InChI InChI=1S/C22H24N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h6-11,14-16,26-27H,1-5,12H2,(H,23,25)/t14-,15+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair