BDBM50195629 3beta-acetoxy-23,24-bisnor-5-en-22-(3-(2-Boc-amino)propanoic acid) amine::CHEMBL217554

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

InChI Key: InChIKey=OCZXUHUGJOKXQQ-NBJDSSPBSA-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 = 50195629   

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)	BDBM50195629 (3beta-acetoxy-23,24-bisnor-5-en-22-(3-(2-Boc-amino...) Show SMILES C[C@H](CNC[C@H](NC(=O)OC(C)(C)C)C(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:23| Show InChI InChI=1S/C32H52N2O6/c1-19(17-33-18-27(28(36)37)34-29(38)40-30(3,4)5)24-10-11-25-23-9-8-21-16-22(39-20(2)35)12-14-31(21,6)26(23)13-15-32(24,25)7/h8,19,22-27,33H,9-18H2,1-7H3,(H,34,38)(H,36,37)/t19-,22+,23?,24-,25+,26+,27+,31+,32-/m1/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