BDBM50195641 3beta-ol-23,24-bisnor-5-en-22-(octanoic acid) amine::CHEMBL215774

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

InChI Key: InChIKey=HAOYPHJRWFGZTK-DJMMCCRTSA-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 = 50195641   

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)	BDBM50195641 (3beta-ol-23,24-bisnor-5-en-22-(octanoic acid) amin...) Show SMILES C[C@H](CNCCCCCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |t:20| Show InChI InChI=1S/C30H51NO3/c1-21(20-31-18-8-6-4-5-7-9-28(33)34)25-12-13-26-24-11-10-22-19-23(32)14-16-29(22,2)27(24)15-17-30(25,26)3/h10,21,23-27,31-32H,4-9,11-20H2,1-3H3,(H,33,34)/t21-,23+,24?,25-,26+,27+,29+,30-/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