BDBM50183059 CHEMBL3818451

SMILES: CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O

InChI Key: InChIKey=NZHOJYVDRHNLLO-SDNYCIMKSA-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 = 50183059   

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))	BDBM50183059 (CHEMBL3818451) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H32N4O8S/c1-3-4-7-14-29-25(34)22(31-40(2,38)39)16-17-10-12-19(18(15-17)11-13-23(28)32)24(33)26(35)30-21-9-6-5-8-20(21)27(36)37/h5-6,8-13,15,22,31H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,34)(H,30,35)(H,36,37)/b13-11+/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) using p-nitrophenyl phosphate as substrate by colorimetric method				Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50183059 (CHEMBL3818451) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(C(=O)C(=O)Nc2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O |r| Show InChI InChI=1S/C27H32N4O8S/c1-3-4-7-14-29-25(34)22(31-40(2,38)39)16-17-10-12-19(18(15-17)11-13-23(28)32)24(33)26(35)30-21-9-6-5-8-20(21)27(36)37/h5-6,8-13,15,22,31H,3-4,7,14,16H2,1-2H3,(H2,28,32)(H,29,34)(H,30,35)(H,36,37)/b13-11+/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate by colorimetr...				Bioorg Med Chem 24: 3343-52 (2016) BindingDB Entry DOI: 10.7270/Q20Z756P
					More data for this Ligand-Target Pair