BDBM93116 PTP1B Inhibitor, 14

SMILES: COc1cc(C=O)ccc1C1=NOC(C1)n1ccnc1

InChI Key: InChIKey=JZCPAISHAWOKPB-UHFFFAOYSA-N

Data: 1 KI  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 = 93116   

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))	BDBM93116 (PTP1B Inhibitor, 14) Show SMILES COc1cc(C=O)ccc1C1=NOC(C1)n1ccnc1 |t:11| Show InChI InChI=1S/C14H13N3O3/c1-19-13-6-10(8-18)2-3-11(13)12-7-14(20-16-12)17-5-4-15-9-17/h2-6,8-9,14H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		6.30E+4	n/a	8.80E+4	n/a	n/a	n/a	n/a	7.0	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair