BDBM50112883 CHEMBL3609530

SMILES: O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12

InChI Key: InChIKey=WEHDTZJWYLEHTE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50112883   

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...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.01E+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 pNPA substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.44E+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
LIP1, secretory lipase (Family 3) (Malassezia globosa (strain ATCC MYA-4612 / CBS 796...)	BDBM50112883 (CHEMBL3609530) Show SMILES O=C1N(CCSC(=S)N2CCCCCC2)Cc2ccccc12 Show InChI InChI=1S/C17H22N2OS2/c20-16-15-8-4-3-7-14(15)13-19(16)11-12-22-17(21)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-13H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	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 incubated for 1 hr using monoolein substrate				Bioorg Med Chem Lett 25: 3464-7 (2015) BindingDB Entry DOI: 10.7270/Q28P6294
					More data for this Ligand-Target Pair