BDBM50342002 (2S,3aR,6S,6aR)-N-(cyclohexylmethyl)-6-(5-((R)-3-(pyrrolidin-1-ylmethyl)phenyl)-1H-tetrazol-1-yl)hexahydrofuro[3,2-b]furan-2-amine::(2S,3aR,6S,6aR)-N-(cyclohexylmethyl)-6-(5-(3-(pyrrolidin-1-ylmethyl)phenyl)-1H-tetrazol-1-yl)hexahydrofuro[3,2-b]furan-2-amine::CHEMBL472003

SMILES: C(N[C@@H]1C[C@H]2OC[C@@H]([C@H]2O1)n1nnnc1-c1cccc(CN2CCCC2)c1)C1CCCCC1

InChI Key: InChIKey=LFRRGQXSMKOSOQ-UARRHKHWSA-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 = 50342002   

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 11 (Homo sapiens (Human))	BDBM50342002 ((2S,3aR,6S,6aR)-N-(cyclohexylmethyl)-6-(5-((R)-3-(...) Show SMILES C(N[C@@H]1C[C@H]2OC[C@@H]([C@H]2O1)n1nnnc1-c1cccc(CN2CCCC2)c1)C1CCCCC1 |r| Show InChI InChI=1S/C25H36N6O2/c1-2-7-18(8-3-1)15-26-23-14-22-24(33-23)21(17-32-22)31-25(27-28-29-31)20-10-6-9-19(13-20)16-30-11-4-5-12-30/h6,9-10,13,18,21-24,26H,1-5,7-8,11-12,14-17H2/t21-,22+,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max-Planck-Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of SHP-2				Bioorg Med Chem 19: 2145-55 (2011) Article DOI: 10.1016/j.bmc.2011.02.047 BindingDB Entry DOI: 10.7270/Q2BR8SHK
					More data for this Ligand-Target Pair