BDBM50539737 CHEMBL4647021

SMILES: [H][C@@]12[#6]-[#8]-c3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6])c3[C@]1([H])[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc21

InChI Key: InChIKey=WIEKYGJSRGBBTQ-AFMDSPMNSA-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 = 50539737   

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))	BDBM50539737 (CHEMBL4647021) Show SMILES [H][C@@]12[#6]-[#8]-c3cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6])c3[C@]1([H])[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc21 |r| Show InChI InChI=1S/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using p-nitrophenyl phosphate as substrate incubated for 30 m...				J Nat Prod 83: 814-824 (2020)
					More data for this Ligand-Target Pair