BDBM50190664 CHEMBL3974642

SMILES: [H][C@@]12CC=C3[C@]([H])(CC[C@@H](C)[C@]3(C)[C@]1([H])C2(C)C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O

InChI Key: InChIKey=ZZLZHWBNIIKVOG-MAYSVDROSA-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 = 50190664   

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))	BDBM50190664 (CHEMBL3974642) Show SMILES [H][C@@]12CC=C3[C@]([H])(CC[C@@H](C)[C@]3(C)[C@]1([H])C2(C)C)[C@H](CC(C)C)c1c(O)c(C=O)c(O)c(C=O)c1O |r,t:3| Show InChI InChI=1S/C28H38O5/c1-14(2)11-17(22-24(32)18(12-29)23(31)19(13-30)25(22)33)16-8-7-15(3)28(6)20(16)9-10-21-26(28)27(21,4)5/h9,12-17,21,26,31-33H,7-8,10-11H2,1-6H3/t15-,16-,17+,21-,26+,28+/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	PubMed	n/a	n/a	1.30E+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 (unknown origin) using pNPP as substrate after 3 mins by colorimetric analysis				J Nat Prod 79: 1365-72 (2016) BindingDB Entry DOI: 10.7270/Q27W6F46
					More data for this Ligand-Target Pair