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BDBM50294833 4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-ylmethyl)-cyclohexanecarboxylic acid(7-methyl-quinolin-8-yl)-amide::CHEMBL551968

SMILES: Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[C@H](CN2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)CC1

InChI Key: InChIKey=LYRJDPVEZODWRJ-CIKGUOONSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294833   
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
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294833
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[C@H](CN2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)CC1 |r,wU:23.25,25.26,14.15,wD:17.19,22.23,28.32,c:28,(26.79,-33.52,;26.76,-35.06,;28.09,-35.86,;28.07,-37.4,;26.73,-38.15,;26.72,-39.69,;25.38,-40.45,;24.04,-39.66,;24.06,-38.12,;25.4,-37.36,;25.42,-35.81,;24.09,-35.03,;24.11,-33.49,;25.46,-32.73,;22.79,-32.7,;21.45,-33.45,;20.13,-32.67,;20.14,-31.12,;18.82,-30.33,;17.28,-30.34,;16.38,-29.1,;16.85,-27.63,;14.91,-29.58,;13.59,-28.81,;13.97,-30.29,;13.56,-31.77,;12.25,-31.11,;12.25,-29.57,;14.91,-31.12,;16.37,-31.59,;16.85,-33.06,;21.49,-30.37,;22.81,-31.16,)|
Show InChI InChI=1S/C27H29N3O3/c1-15-4-7-17-3-2-12-28-24(17)23(15)29-25(31)18-8-5-16(6-9-18)14-30-26(32)21-19-10-11-20(13-19)22(21)27(30)33/h2-4,7,10-12,16,18-22H,5-6,8-9,13-14H2,1H3,(H,29,31)/t16-,18-,19-,20+,21-,22+
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+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