BDBM50185125 3beta,6beta-dihydroxyolean-12-en-27-oic acid::CHEMBL377760

SMILES: CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)[C@@H]2C1

InChI Key: InChIKey=LUJTWDWEYNWTBP-ULYQHCOQSA-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 = 50185125   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50185125 (3beta,6beta-dihydroxyolean-12-en-27-oic acid | CHE...) Show SMILES CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5[C@H](O)C[C@@]34C)[C@@H]2C1 |c:13| Show InChI InChI=1S/C30H48O4/c1-25(2)12-13-27(5)14-15-30(24(33)34)18(19(27)16-25)8-9-21-28(6)11-10-22(32)26(3,4)23(28)20(31)17-29(21,30)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23?,27+,28+,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				Bioorg Med Chem Lett 16: 3273-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.036 BindingDB Entry DOI: 10.7270/Q2ZP46WV
					More data for this Ligand-Target Pair