null

SMILES: COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1

InChI Key: InChIKey=ACUYNCLZSUPUPX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50383020   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair