BDBM50112867 CHEMBL3609534

SMILES: O=C1N(CCSC(=S)N2CCCCCC2)C(=O)c2ccccc12

InChI Key: InChIKey=NRQNIJUBQRRAID-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 = 50112867   

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
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112867 (CHEMBL3609534) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)C(=O)c2ccccc12 Show InChI InChI=1S/C17H20N2O2S2/c20-15-13-7-3-4-8-14(13)16(21)19(15)11-12-23-17(22)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-12H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of Malassezia globosa CBS 7966 LIP1 using pNPC substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair