BDBM50429175 CHEMBL2336718

SMILES: ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=UYRAOYCLFKFZJH-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 = 50429175   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM50429175 (CHEMBL2336718) Show SMILES ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)-c1ccccc1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12| Show InChI InChI=1S/C24H27NO2/c26-22(25-27)15-23-11-17-10-18(12-23)14-24(13-17,16-23)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,17-18,27H,10-16H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A Hall A hyper protease light chain (1-425aa) using SNAPtide as substrate by FRET assay				Bioorg Med Chem 21: 1344-8 (2013) Article DOI: 10.1016/j.bmc.2012.12.001 BindingDB Entry DOI: 10.7270/Q2N58NQJ
					More data for this Ligand-Target Pair