BDBM50089539 5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-chromen-2-one::CHEMBL286638

SMILES: CC(C)(C)C#C\C=C\CNc1cccc2oc(=O)ccc12

InChI Key: InChIKey=NQVICCSNIBMKIW-GQCTYLIASA-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 = 50089539   

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
Chitin synthase (Candida albicans)	BDBM50089539 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-chromen...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2oc(=O)ccc12 Show InChI InChI=1S/C18H19NO2/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(20)21-16/h4,6-11,19H,13H2,1-3H3/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair