BDBM50270468 CHEMBL4073313

SMILES: CC(C)c1ccc2oc(=S)n(Cc3ccccc3)c2c1

InChI Key: InChIKey=WDRALTNFGXDBHR-UHFFFAOYSA-N

Data: 1 KI

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 = 50270468   

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))	BDBM50270468 (CHEMBL4073313) Show SMILES CC(C)c1ccc2oc(=S)n(Cc3ccccc3)c2c1 Show InChI InChI=1S/C17H17NOS/c1-12(2)14-8-9-16-15(10-14)18(17(20)19-16)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Marie Lannelongue Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity using 4-HPP as substrate preincubated for 15 mins followed by substrate addition measured af...				J Med Chem 61: 2725-2736 (2018) Article DOI: 10.1021/acs.jmedchem.7b01312 BindingDB Entry DOI: 10.7270/Q2T1564K
					More data for this Ligand-Target Pair