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BDBM50421193 CHEMBL2086802

SMILES: COc1c(C(=O)NCCN2CCCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

InChI Key: InChIKey=LHJAJTJCYQCMFN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421193   
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))
BDBM50421193
PNG
(CHEMBL2086802)
Show SMILES COc1c(C(=O)NCCN2CCCCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
Show InChI InChI=1S/C29H32N4O4/c1-31-25-21-13-7-8-14-22(21)33(19-23(34)20-11-5-3-6-12-20)29(36)24(25)27(37-2)26(31)28(35)30-15-18-32-16-9-4-10-17-32/h3,5-8,11-14H,4,9-10,15-19H2,1-2H3,(H,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

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