BDBM50320931 (3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)-3-hydroxy-4,4,8,10-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-(2-methylprop-1-enyl)dihydrofuran-2(3H)-one::CHEMBL1163992

SMILES: [#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1

InChI Key: InChIKey=ZSEPEQLKKMCFTM-JYLLKFNFSA-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 = 50320931   

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))	BDBM50320931 ((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/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	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B by pNPP hydrolase assay				Bioorg Med Chem 18: 3934-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.073 BindingDB Entry DOI: 10.7270/Q21C1X25
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50320931 ((3R,5R)-3-hydroxy-3-((3S,5R,8S,9S,10R,13S,14R,17S)...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H]-1-[#6][C@@]([#8])([#6@H]-2-[#6]-[#6]-[#6@@H]3-[#6@@H]-2-[#6]-[#6]-[#6@H]2[C@@]3([#6])[#6]-[#6]-[#6@H]3C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]23[#6])[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C29H46O4/c1-17(2)15-18-16-29(32,25(31)33-18)21-9-8-20-19(21)7-10-23-27(20,5)13-11-22-26(3,4)24(30)12-14-28(22,23)6/h15,18-24,30,32H,7-14,16H2,1-6H3/t18-,19-,20+,21-,22-,23-,24-,27-,28-,29+/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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 18: 3934-9 (2010) Article DOI: 10.1016/j.bmc.2010.04.073 BindingDB Entry DOI: 10.7270/Q21C1X25
					More data for this Ligand-Target Pair