BDBM50423981 GYPENSAPOGENIN B

SMILES: [#6]\[#6](-[#6])=[#6]-1\[#6]-[#6](=[#6]-[#6]-1=O)-[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6]-[#6]-[#6@@H]1-[#6]-3=[#6](-[#6]-[#6][C@@]21[#6])C([#6])([#6])[#6@@H]-1-[#6]-[#6]-[#6@H]-3-[#8]-1

InChI Key: InChIKey=NNUMQZNZQGQGCN-AGHUFMIKSA-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 = 50423981   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50423981 (GYPENSAPOGENIN B) Show SMILES [#6]\[#6](-[#6])=[#6]-1\[#6]-[#6](=[#6]-[#6]-1=O)-[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6]-[#6]-[#6@@H]1-[#6]-3=[#6](-[#6]-[#6][C@@]21[#6])C([#6])([#6])[#6@@H]-1-[#6]-[#6]-[#6@H]-3-[#8]-1 |r,c:5,20| Show InChI InChI=1S/C30H42O2/c1-17(2)20-15-18(16-24(20)31)19-11-13-29(5)21(19)7-8-23-27-22(12-14-30(23,29)6)28(3,4)26-10-9-25(27)32-26/h16,19,21,23,25-26H,7-15H2,1-6H3/t19-,21-,23-,25-,26+,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 23: 297-300 (2012) Article DOI: 10.1016/j.bmcl.2012.10.097 BindingDB Entry DOI: 10.7270/Q2CJ8FS8
					More data for this Ligand-Target Pair