BDBM85591 AANAT Inhibitor, 8i

SMILES: CCc1ccc2scc(CCNC(=O)CBr)c2c1

InChI Key: InChIKey=JMLGKHJYLQCTRB-UHFFFAOYSA-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 = 85591   

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
Serotonin N-acetyltransferase (AANAT) (Homo sapiens (Human))	BDBM85591 (AANAT Inhibitor, 8i) Show SMILES CCc1ccc2scc(CCNC(=O)CBr)c2c1 Show InChI InChI=1S/C14H16BrNOS/c1-2-10-3-4-13-12(7-10)11(9-18-13)5-6-16-14(17)8-15/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	6.8	37
Université de Lille					Assay Description The compounds were evaluated in a human serotonin N-acetyltransferase assay.				J Enzyme Inhib Med Chem 17: 409-14 (2002) Article DOI: 10.1080/1475636021000005721 BindingDB Entry DOI: 10.7270/Q2610XWN
					More data for this Ligand-Target Pair