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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' and Ligand = 'BDBM50421176'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sonic hedgehog protein


(Mus musculus (Mouse))		BDBM50421176
PNG
(CHEMBL2086781)
Show SMILES CCCCCC[C@@](O)(CC)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C28H50O3/c1-5-7-8-9-14-28(31,6-2)25-11-10-21-20-18-24(30)23-17-19(29)12-15-26(23,3)22(20)13-16-27(21,25)4/h19-25,29-31H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.90E+3n/an/an/an/a



Fate Therapeutics

Curated by ChEMBL


Assay Description
Activation of SHh in mouse Light2 cells assessed as induction of Gli-mediated luciferase activity after 24 hrs by reporter gene assay

Bioorg Med Chem Lett 22: 5893-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.073
BindingDB Entry DOI: 10.7270/Q2WH2R9R
More data for this
Ligand-Target Pair