BDBM50243240 (3-((R)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)propanamido)-3-carboxypropanamido)-4-carboxybutanamido)-3-((S)-1-amino-4-methyl-1-oxopentan-2-ylamino)-3-oxopropyl)phenyl)difluoromethylphosphonate::CID44560694::PTP1B inhibitor peptide 1

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(c1)C(F)(F)P([O-])([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(N)=O

InChI Key: InChIKey=KMGNPCXQVLTBOP-USUWBSJTSA-L

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 = 50243240   

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))	BDBM50243240 ((3-((R)-2-((S)-2-((S)-2-((S)-2-((S)-2-amino-3-carb...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc(c1)C(F)(F)P([O-])([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(N)=O |r| Show InChI InChI=1S/C32H46F2N7O15P/c1-14(2)9-20(26(36)48)39-30(52)21(11-16-5-4-6-17(10-16)32(33,34)57(54,55)56)41-29(51)19(7-8-23(42)43)38-31(53)22(13-25(46)47)40-27(49)15(3)37-28(50)18(35)12-24(44)45/h4-6,10,14-15,18-22H,7-9,11-13,35H2,1-3H3,(H2,36,48)(H,37,50)(H,38,53)(H,39,52)(H,40,49)(H,41,51)(H,42,43)(H,44,45)(H,46,47)(H2,54,55,56)/p-2/t15-,18-,19-,20-,21+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human PTP1B expressed in Escherichia coli BL21(DE3) cells				Bioorg Med Chem 16: 6764-77 (2008) Article DOI: 10.1016/j.bmc.2008.05.062 BindingDB Entry DOI: 10.7270/Q2930V2P
					More data for this Ligand-Target Pair				3D Structure (docked)