BDBM50057661 CHEMBL3322842

SMILES: [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1

InChI Key: InChIKey=GGQUYIVNRPCMGS-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 = 50057661   

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))	BDBM50057661 (CHEMBL3322842) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1 Show InChI InChI=1S/C20H13N5O4S/c26-18(14-2-1-11-21-12-14)22-20-24-23-19(30-20)13-3-7-16(8-4-13)29-17-9-5-15(6-10-17)25(27)28/h1-12H,(H,22,24,26)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Liaoning Normal University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin)				Bioorg Med Chem Lett 24: 4125-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.055 BindingDB Entry DOI: 10.7270/Q2MP54XR
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50057661 (CHEMBL3322842) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(cc2)-c2nnc(NC(=O)c3cccnc3)s2)cc1 Show InChI InChI=1S/C20H13N5O4S/c26-18(14-2-1-11-21-12-14)22-20-24-23-19(30-20)13-3-7-16(8-4-13)29-17-9-5-15(6-10-17)25(27)28/h1-12H,(H,22,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Liaoning Normal University Curated by ChEMBL					Assay Description Inhibition of Cdc25B (unknown origin)				Bioorg Med Chem Lett 24: 4125-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.055 BindingDB Entry DOI: 10.7270/Q2MP54XR
					More data for this Ligand-Target Pair