BDBM13431 CHEMBL204336::N-{4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(methylcarbamoyl)ethyl]phenyl}sulfamic acid::phenylalanine analog 2::sulfamic acid deriv. 2

SMILES: CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=SQRHYYPEUFLSML-LBPRGKRZSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 2 hits for monomerid = 13431   

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))	BDBM13431 (CHEMBL204336 | N-{4-[(2S)-2-{[(tert-butoxy)carbony...) Show SMILES CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C15H23N3O6S/c1-15(2,3)24-14(20)17-12(13(19)16-4)9-10-5-7-11(8-6-10)18-25(21,22)23/h5-8,12,18H,9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22,23)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM13431 (CHEMBL204336 | N-{4-[(2S)-2-{[(tert-butoxy)carbony...) Show SMILES CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r| Show InChI InChI=1S/C15H23N3O6S/c1-15(2,3)24-14(20)17-12(13(19)16-4)9-10-5-7-11(8-6-10)18-25(21,22)23/h5-8,12,18H,9H2,1-4H3,(H,16,19)(H,17,20)(H,21,22,23)/t12-/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	7.0	22
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair