BDBM50136569 CHEMBL3754629

SMILES: [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1

InChI Key: InChIKey=IKSIWVINNUSXPI-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50136569   

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))	BDBM50136569 (CHEMBL3754629) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1 |c:10,24,t:18| Show InChI InChI=1S/C31H38O5/c1-20(2)8-14-24-27(33)26(25(32)15-11-22-9-12-23(35-7)13-10-22)28(34)31(17-16-21(3)4)19-18-30(5,6)36-29(24)31/h8-10,12-13,16,18-19,33H,11,14-15,17H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qiqihar University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometry based Lineweaver-Burk plot				Bioorg Med Chem Lett 26: 318-21 (2016) BindingDB Entry DOI: 10.7270/Q2C82C4W
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50136569 (CHEMBL3754629) Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-[#6](=O)-[#6]-2=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]3-[#8]C([#6])([#6])[#6]=[#6]C3([#6]\[#6]=[#6](\[#6])-[#6])[#6]-2=O)cc1 |c:10,24,t:18| Show InChI InChI=1S/C31H38O5/c1-20(2)8-14-24-27(33)26(25(32)15-11-22-9-12-23(35-7)13-10-22)28(34)31(17-16-21(3)4)19-18-30(5,6)36-29(24)31/h8-10,12-13,16,18-19,33H,11,14-15,17H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qiqihar University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate by spectrophotometric analysis				Bioorg Med Chem Lett 26: 318-21 (2016) BindingDB Entry DOI: 10.7270/Q2C82C4W
					More data for this Ligand-Target Pair