BDBM50131836 CHEMBL3633138

SMILES: OC(=O)c1ccc(NC(=O)CCCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O

InChI Key: InChIKey=GZUQMEGVOWUBQT-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50131836   

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
Receptor-type tyrosine-protein phosphatase S (Homo sapiens (Human))	BDBM50131836 (CHEMBL3633138) Show SMILES OC(=O)c1ccc(NC(=O)CCCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O Show InChI InChI=1S/C46H47N7O10S/c54-39-24-34(18-20-37(39)45(58)59)48-42(56)13-4-5-23-51-27-35(49-50-51)28-52(64(62,63)41-12-6-10-33-11-7-22-47-44(33)41)29-43(57)53(36-19-21-38(46(60)61)40(55)25-36)26-30-14-16-32(17-15-30)31-8-2-1-3-9-31/h6-7,10-12,14-22,24-25,27,31,54-55H,1-5,8-9,13,23,26,28-29H2,(H,48,56)(H,58,59)(H,60,61)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 982-6 (2015) BindingDB Entry DOI: 10.7270/Q2542QDC
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50131836 (CHEMBL3633138) Show SMILES OC(=O)c1ccc(NC(=O)CCCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O Show InChI InChI=1S/C46H47N7O10S/c54-39-24-34(18-20-37(39)45(58)59)48-42(56)13-4-5-23-51-27-35(49-50-51)28-52(64(62,63)41-12-6-10-33-11-7-22-47-44(33)41)29-43(57)53(36-19-21-38(46(60)61)40(55)25-36)26-30-14-16-32(17-15-30)31-8-2-1-3-9-31/h6-7,10-12,14-22,24-25,27,31,54-55H,1-5,8-9,13,23,26,28-29H2,(H,48,56)(H,58,59)(H,60,61)	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	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 982-6 (2015) BindingDB Entry DOI: 10.7270/Q2542QDC
					More data for this Ligand-Target Pair