Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50320343'   

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 (Homo sapiens (Human))	BDBM50320343 ((S)-(4-(4-(4-fluorophenyl)phthalazin-1-yl)-2-methy...) Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(-c2ccc(F)cc2)c2ccccc12 |r| Show InChI InChI=1S/C26H23FN4O/c1-18-17-30(15-16-31(18)26(32)20-7-3-2-4-8-20)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(27)14-12-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN Curated by ChEMBL					Assay Description Inhibition of human SMO expressed in HEPM cells				Bioorg Med Chem Lett 20: 3618-22 (2010) Article DOI: 10.1016/j.bmcl.2010.04.110 BindingDB Entry DOI: 10.7270/Q2WQ03ZQ
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