BDBM50195643 3beta-acetoxy-23,24-bisnor-chol-5-en-22-(butanoic acid) amine::CHEMBL213606

SMILES: C[C@H](CNCCCC(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=IRKSMPSMJBSGJT-UTSTZFFLSA-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 = 50195643   

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)	BDBM50195643 (3beta-acetoxy-23,24-bisnor-chol-5-en-22-(butanoic ...) Show SMILES C[C@H](CNCCCC(O)=O)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:16| Show InChI InChI=1S/C28H45NO4/c1-18(17-29-15-5-6-26(31)32)23-9-10-24-22-8-7-20-16-21(33-19(2)30)11-13-27(20,3)25(22)12-14-28(23,24)4/h7,18,21-25,29H,5-6,8-17H2,1-4H3,(H,31,32)/t18-,21+,22?,23-,24+,25+,27+,28-/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
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