BDBM50266162 Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-phenoxy)-ethyl]-amine::CHEMBL512442

SMILES: CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1

InChI Key: InChIKey=JAYNPQWBDQJHAA-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50266162   

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))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity in presence of Triton X-100				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50266162 (Butyl-methyl-[2-(4-naphtho[1,2-d]oxazol-2-yl-pheno...) Show SMILES CCCCN(C)CCOc1ccc(cc1)-c1nc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C24H26N2O2/c1-3-4-15-26(2)16-17-27-20-12-9-19(10-13-20)24-25-23-21-8-6-5-7-18(21)11-14-22(23)28-24/h5-14H,3-4,15-17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of of PTP1B (unknown origin) assessed as residual enzyme activity				Eur J Med Chem 44: 109-16 (2008) Article DOI: 10.1016/j.ejmech.2008.03.009 BindingDB Entry DOI: 10.7270/Q2FN1602
					More data for this Ligand-Target Pair