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BDBM50401327 CHEMBL2205226

SMILES: CCc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12

InChI Key: InChIKey=HRHLOYJPWBQJKE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50401327   
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))
BDBM50401327
PNG
(CHEMBL2205226)
Show SMILES CCc1c(C(=O)NC2CCN(CC2)C(=O)CO)n(C)c2cc(CC)n(CC(=O)c3ccccc3)c(=O)c12
Show InChI InChI=1S/C28H34N4O5/c1-4-20-15-22-25(28(37)32(20)16-23(34)18-9-7-6-8-10-18)21(5-2)26(30(22)3)27(36)29-19-11-13-31(14-12-19)24(35)17-33/h6-10,15,19,33H,4-5,11-14,16-17H2,1-3H3,(H,29,36)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse Shh-N expressed in mouse NIH3T3/Gli-luc cells assessed as inhibition of Gli1 expression after 48 hrs by luciferase re...


Bioorg Med Chem 20: 5507-17 (2012)


Article DOI: 10.1016/j.bmc.2012.07.034
BindingDB Entry DOI: 10.7270/Q2ZS2XP4
More data for this
Ligand-Target Pair