BDBM50218845 CHEMBL86881::SR-12

SMILES: O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12

InChI Key: InChIKey=SGJWQZBJMZSHGT-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 = 50218845   

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
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218845 (CHEMBL86881 | SR-12) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-12-13-26(30-22-10-1-6-18-7-2-11-23(31-26)24(18)22)19-8-3-9-21(25(19)20)29-16-17-5-4-14-27-15-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin-1/thioredoxin reductase system				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair
Thioredoxin reductase 3 (Homo sapiens (Human))	BDBM50218845 (CHEMBL86881 | SR-12) Show SMILES O=C1C=CC2(Oc3cccc4cccc(O2)c34)c2cccc(OCc3cccnc3)c12 |c:2| Show InChI InChI=1S/C26H17NO4/c28-20-12-13-26(30-22-10-1-6-18-7-2-11-23(31-26)24(18)22)19-8-3-9-21(25(19)20)29-16-17-5-4-14-27-15-17/h1-15H,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of thioredoxin reductase				Bioorg Med Chem Lett 11: 2637-41 (2001) BindingDB Entry DOI: 10.7270/Q22R3TTN
					More data for this Ligand-Target Pair