BDBM50015587 CHEMBL3260157

SMILES: CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(cc1)N(C)C

InChI Key: InChIKey=GKATZDZIOXDRAA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50015587   

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
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50015587 (CHEMBL3260157) Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(cc1)N(C)C |c:19| Show InChI InChI=1S/C28H33N5O2S2/c1-4-5-19-29-28(36)31-37(34,35)25-17-15-24(16-18-25)33-27(22-9-7-6-8-10-22)20-26(30-33)21-11-13-23(14-12-21)32(2)3/h6-18,27H,4-5,19-20H2,1-3H3,(H2,29,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of aldose reductase in rat lens by spectrophotometer analysis				Eur J Med Chem 80: 209-17 (2014) Article DOI: 10.1016/j.ejmech.2014.04.046 BindingDB Entry DOI: 10.7270/Q2PC33ZJ
					More data for this Ligand-Target Pair