BDBM50195639 3beta-acetoxy-23,24-bisnor-chol-5-en-22-(octanoic acid) amine::CHEMBL387463

SMILES: C[C@H](CNCCCCCCCC(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=NKHBEWLTNBEWHX-WFZFLSAASA-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 = 50195639   

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)	BDBM50195639 (3beta-acetoxy-23,24-bisnor-chol-5-en-22-(octanoic ...) Show SMILES C[C@H](CNCCCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:20| Show InChI InChI=1S/C32H53NO4/c1-22(21-33-19-9-7-5-6-8-10-30(35)36)27-13-14-28-26-12-11-24-20-25(37-23(2)34)15-17-31(24,3)29(26)16-18-32(27,28)4/h11,22,25-29,33H,5-10,12-21H2,1-4H3,(H,35,36)/t22-,25+,26?,27-,28+,29+,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