Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Smoothened homolog' and Ligand = 'BDBM50320368'   

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))	BDBM50320368 ((S)-(2-methyl-4-(4-(pyridazin-1(6H)-yl)phthalazin-...) Show SMILES C[C@H]1CN(CCN1C(=O)c1ccccc1)c1nnc(N2CC=CC=N2)c2ccccc12 |r,c:23,25| Show InChI InChI=1S/C24H24N6O/c1-18-17-28(15-16-29(18)24(31)19-9-3-2-4-10-19)22-20-11-5-6-12-21(20)23(27-26-22)30-14-8-7-13-25-30/h2-13,18H,14-17H2,1H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	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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