BDBM50195642 3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl butanoate) amine::CHEMBL217279

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

InChI Key: InChIKey=RAACUKXVGINMTN-UTFRSPECSA-N

Data: 2 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 2 hits for monomerid = 50195642   

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)	BDBM50195642 (3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl bu...) Show SMILES COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:17| Show InChI InChI=1S/C29H47NO4/c1-19(18-30-16-6-7-27(32)33-5)24-10-11-25-23-9-8-21-17-22(34-20(2)31)12-14-28(21,3)26(23)13-15-29(24,25)4/h8,19,22-26,30H,6-7,9-18H2,1-5H3/t19-,22+,23?,24-,25+,26+,28+,29-/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 Trypanosoma brucei brucei 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
24-sterol C-methyltransferase (Arabidopsis thaliana)	BDBM50195642 (3beta-acetoxy-23,24-bisnor-chol-5-en-22-(methyl bu...) Show SMILES COC(=O)CCCNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:17| Show InChI InChI=1S/C29H47NO4/c1-19(18-30-16-6-7-27(32)33-5)24-10-11-25-23-9-8-21-17-22(34-20(2)31)12-14-28(21,3)26(23)13-15-29(24,25)4/h8,19,22-26,30H,6-7,9-18H2,1-5H3/t19-,22+,23?,24-,25+,26+,28+,29-/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