BDBM50206292 CHEMBL3904964

SMILES: COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-n1ncc(C(O)=O)c1N)c1ccc(F)cc1

InChI Key: InChIKey=GVEJVGGXASEWSH-UHFFFAOYSA-N

Data: 1 KI

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 = 50206292   

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))	BDBM50206292 (CHEMBL3904964) Show SMILES COc1ccc(cc1)-c1noc(n1)C(Cc1ccc(cc1)-n1ncc(C(O)=O)c1N)c1ccc(F)cc1 Show InChI InChI=1S/C27H22FN5O4/c1-36-21-12-6-18(7-13-21)25-31-26(37-32-25)22(17-4-8-19(28)9-5-17)14-16-2-10-20(11-3-16)33-24(29)23(15-30-33)27(34)35/h2-13,15,22H,14,29H2,1H3,(H,34,35)	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	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human PTP1B expressed in Escherichia coli expression system using pNPP as substrate preincubated for 30 mins followed by su...				Bioorg Med Chem 25: 67-74 (2017) Article DOI: 10.1016/j.bmc.2016.10.012 BindingDB Entry DOI: 10.7270/Q23F4RN5
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