BDBM50219578 4-bromo-3-carboxymethoxy-5-(3-cycloheptylaminophenyl)thiophene-2-carboxylic acid::CHEMBL243941

SMILES: OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCCCCC2)c1

InChI Key: InChIKey=ORZCRAPJJYNASP-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 = 50219578   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50219578 (4-bromo-3-carboxymethoxy-5-(3-cycloheptylaminophen...) Show SMILES OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCCCCC2)c1 Show InChI InChI=1S/C20H22BrNO5S/c21-16-17(27-11-15(23)24)19(20(25)26)28-18(16)12-6-5-9-14(10-12)22-13-7-3-1-2-4-8-13/h5-6,9-10,13,22H,1-4,7-8,11H2,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)