BDBM50131553 2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-nitro-phenoxy)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-amino]-benzoic acid::CHEMBL116692

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=CZHXFEWAZCRHGB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50131553   

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 alpha (Homo sapiens (Human))	BDBM50131553 (2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-nitro-pheno...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C32H34N4O11/c1-3-21-17-20(13-14-24(21)35(30(40)32(43)44)25-10-5-4-9-22(25)31(41)42)18-23(34-19(2)37)29(39)33-15-6-7-16-47-27-12-8-11-26(38)28(27)36(45)46/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,33,39)(H,34,37)(H,41,42)(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against T cell protein tyrosine phosphatase				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50131553 (2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-nitro-pheno...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C32H34N4O11/c1-3-21-17-20(13-14-24(21)35(30(40)32(43)44)25-10-5-4-9-22(25)31(41)42)18-23(34-19(2)37)29(39)33-15-6-7-16-47-27-12-8-11-26(38)28(27)36(45)46/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,33,39)(H,34,37)(H,41,42)(H,43,44)	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	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair