BDBM50073713 (6-Isothiocyanatohexyl)Benzene::PHENYLHEXYL ISOTHIOCYANATE::Phenylhexylisothiocyanate

SMILES: S=C=NCCCCCCc1ccccc1

InChI Key: InChIKey=VJNWEQGIPZMBMA-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50073713   

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
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50073713 ((6-Isothiocyanatohexyl)Benzene | PHENYLHEXYL ISOTH...) Show SMILES S=C=NCCCCCCc1ccccc1 Show InChI InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Otago Curated by ChEMBL					Assay Description Inhibition of macrophage migration inhibitory factor tautomerase activity in human Jurkat T cells using L-dopachrome methyl ester as substrate incuba...				Eur J Med Chem 93: 501-10 (2015) Article DOI: 10.1016/j.ejmech.2015.02.012 BindingDB Entry DOI: 10.7270/Q26Q1ZZ7
					More data for this Ligand-Target Pair				3D Structure (crystal)