Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50539184'   

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
Smoothened homolog (Mus musculus)	BDBM50539184 (CHEMBL4636369) Show SMILES Cc1nc(cn1C)-c1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)c(C)cc1Cl Show InChI InChI=1S/C25H23ClN4O2/c1-16-12-22(26)21(24-14-30(3)17(2)28-24)13-23(16)29-25(31)18-7-9-20(10-8-18)32-15-19-6-4-5-11-27-19/h4-14H,15H2,1-3H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of SMO-mediated Hedgehog signaling pathway in mouse C3H10T1/2 cells assessed as reduction in sonic hedgehog-induced osteoblast differentia...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115227 BindingDB Entry DOI: 10.7270/Q2CF9TNC
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