BDBM50250720 3beta,16beta,23-triacetoxyolean-12-en-28-oic acid::CHEMBL502468

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3([C@H](C[C@@]12C)OC(C)=O)C(O)=O)OC(C)=O

InChI Key: InChIKey=PRKFEXJCCYJSHL-VOQQBVSSSA-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 = 50250720   

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
DNA polymerase beta (Homo sapiens (Human))	BDBM50250720 (3beta,16beta,23-triacetoxyolean-12-en-28-oic acid ...) Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@@]3([C@H](C[C@@]12C)OC(C)=O)C(O)=O)OC(C)=O |r,t:21| Show InChI InChI=1S/C36H54O8/c1-21(37)42-20-33(7)26-12-15-34(8)27(32(26,6)14-13-28(33)43-22(2)38)11-10-24-25-18-31(4,5)16-17-36(25,30(40)41)29(44-23(3)39)19-35(24,34)9/h10,25-29H,11-20H2,1-9H3,(H,40,41)/t25-,26+,27+,28-,29-,32-,33-,34+,35+,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay				J Nat Prod 66: 1463-5 (2003) Article DOI: 10.1021/np0301893 BindingDB Entry DOI: 10.7270/Q2K35VJB
					More data for this Ligand-Target Pair