BDBM50219583 4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylamino)-carbonyl]amino}benzyl)sulfonyl]piperidin-4-yl}amino)phenyl]-thiophene-2-carboxylic acid::CHEMBL397903

SMILES: CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br

InChI Key: InChIKey=QEENZXFTRSDPEF-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 = 50219583   

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 2 (Homo sapiens (Human))	BDBM50219583 (4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylam...) Show SMILES CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C28H31BrN4O8S2/c1-2-30-28(38)32-21-9-4-3-6-18(21)16-43(39,40)33-12-10-19(11-13-33)31-20-8-5-7-17(14-20)25-23(29)24(41-15-22(34)35)26(42-25)27(36)37/h3-9,14,19,31H,2,10-13,15-16H2,1H3,(H,34,35)(H,36,37)(H2,30,32,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant TCPTP				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50219583 (4-bromo-3-(carboxymethoxy)-5-[3-({1-[(2-{[(ethylam...) Show SMILES CCNC(=O)Nc1ccccc1CS(=O)(=O)N1CCC(CC1)Nc1cccc(c1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br Show InChI InChI=1S/C28H31BrN4O8S2/c1-2-30-28(38)32-21-9-4-3-6-18(21)16-43(39,40)33-12-10-19(11-13-33)31-20-8-5-7-17(14-20)25-23(29)24(41-15-22(34)35)26(42-25)27(36)37/h3-9,14,19,31H,2,10-13,15-16H2,1H3,(H,34,35)(H,36,37)(H2,30,32,38)	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	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Med Chem 50: 4681-98 (2007) Article DOI: 10.1021/jm0702478 BindingDB Entry DOI: 10.7270/Q2TX3F37
					More data for this Ligand-Target Pair				3D Structure (docked)