BDBM50155760 CHEMBL3780639

SMILES: [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CNC(N)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O

InChI Key: InChIKey=HIGGQZFLALXLKW-BWCMQUJESA-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 = 50155760   

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))	BDBM50155760 (CHEMBL3780639) Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CNC(N)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C20H36N4O2/c1-13(12-23-17(21)25)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)24-18(22)26/h13,15-16H,2,5-12H2,1,3-4H3,(H3,21,23,25)(H3,22,24,26)/t13-,15-,16+,19+,20-/m0/s1	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	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Lucknow Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay				Bioorg Med Chem Lett 26: 1988-92 (2016) BindingDB Entry DOI: 10.7270/Q2514147
					More data for this Ligand-Target Pair