Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sonic hedgehog protein' and Ligand = 'BDBM50421179'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sonic hedgehog protein (Mus musculus (Mouse))	BDBM50421179 (CHEMBL2086784) Show SMILES COCCCC[C@](C)(O)[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/C26H46O4/c1-24-12-9-17(27)15-21(24)22(28)16-18-19-7-8-23(25(19,2)13-10-20(18)24)26(3,29)11-5-6-14-30-4/h17-23,27-29H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/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
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