BDBM50195630 3beta-acetoxy-23,24-bisnor-5-en-22-(6-(2-Z-amino)benzyl hexanoate) amide::CHEMBL217116

SMILES: C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=FYSHEZIINDYYPW-HRMYQWRNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195630   

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
24-sterol C-methyltransferase (Arabidopsis thaliana)	BDBM50195630 (3beta-acetoxy-23,24-bisnor-5-en-22-(6-(2-Z-amino)b...) Show SMILES C[C@@H]([C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |t:8| Show InChI InChI=1S/C45H60N2O7/c1-30(37-20-21-38-36-19-18-34-27-35(54-31(2)48)22-24-44(34,3)39(36)23-25-45(37,38)4)41(49)46-26-12-11-17-40(42(50)52-28-32-13-7-5-8-14-32)47-43(51)53-29-33-15-9-6-10-16-33/h5-10,13-16,18,30,35-40H,11-12,17,19-29H2,1-4H3,(H,46,49)(H,47,51)/t30-,35-,36?,37+,38-,39-,40-,44-,45+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant 24-SMT				J Med Chem 49: 6094-103 (2006) Article DOI: 10.1021/jm060290f BindingDB Entry DOI: 10.7270/Q2TB16JJ
					More data for this Ligand-Target Pair