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BDBM50421190 CHEMBL2086805

SMILES: COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

InChI Key: InChIKey=APXCVYPSILYWCO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421190   
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
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50421190
PNG
(CHEMBL2086805)
Show SMILES COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H32N4O5/c1-31-25-21-10-6-7-11-22(21)33(18-23(35)19-8-4-3-5-9-19)29(37)24(25)27(38-2)26(31)28(36)30-20-12-14-32(15-13-20)16-17-34/h3-11,20,34H,12-18H2,1-2H3,(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh expressed in human NIH/3T3 cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase reporter ge...


Bioorg Med Chem 20: 5496-506 (2012)


Article DOI: 10.1016/j.bmc.2012.07.039
BindingDB Entry DOI: 10.7270/Q2N017TJ
More data for this
Ligand-Target Pair