BDBM50320948 (3S,20S,23S)-3-(3',5'-Difluorobenzylamino)-20,23-dihydroxydammar-24-en-21-oic acid-21,23-lactone::CHEMBL1163241

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](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2cc(F)cc(F)c2)[#6](=O)-[#8]1

InChI Key: InChIKey=NVKMWWXPYRYPPV-GIEUSJHHSA-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 = 50320948   

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))	BDBM50320948 ((3S,20S,23S)-3-(3',5'-Difluorobenzylamino)-20,23-d...) 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](-[#6]-[#6][C@]23[#6])-[#7]-[#6]-c2cc(F)cc(F)c2)[#6](=O)-[#8]1 |r| Show InChI InChI=1S/C36H51F2NO3/c1-21(2)15-25-19-36(41,32(40)42-25)28-9-8-27-26(28)7-10-30-34(27,5)13-11-29-33(3,4)31(12-14-35(29,30)6)39-20-22-16-23(37)18-24(38)17-22/h15-18,25-31,39,41H,7-14,19-20H2,1-6H3/t25-,26+,27-,28+,29+,30+,31?,34+,35+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+4	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