BDBM50089537 5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-amino}-3,4-dihydro-1H-quinolin-2-one::CHEMBL443517

SMILES: CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12

InChI Key: InChIKey=RCIXWNJNPMQKFN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50089537   

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)	BDBM50089537 (5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...) Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase (Candida albicans)	BDBM50089537 (5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...) Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20	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