BDBM50089554 CHEMBL35365::N-[3-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-phenyl]-acetamide

SMILES: CC(=O)Nc1cccc(NC\C=C\C#CC(C)(C)C)c1

InChI Key: InChIKey=MCLSZLNYWHANEP-FNORWQNLSA-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 = 50089554   

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)	BDBM50089554 (CHEMBL35365 | N-[3-((E)-6,6-Dimethyl-hept-2-en-4-y...) Show SMILES CC(=O)Nc1cccc(NC\C=C\C#CC(C)(C)C)c1 Show InChI InChI=1S/C17H22N2O/c1-14(20)19-16-10-8-9-15(13-16)18-12-7-5-6-11-17(2,3)4/h5,7-10,13,18H,12H2,1-4H3,(H,19,20)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	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