BDBM50450334 CHEMBL49957

SMILES: CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C

InChI Key: InChIKey=HSIHEAKOAYWNSX-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 = 50450334   

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
Acyl coenzyme A:cholesterol acyltransferase 1 (Mus musculus)	BDBM50450334 (CHEMBL49957) Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)26-17(2)3)13-10-8-11-14-29-20-18-19(23-15-22-18)24-16-25-20/h15-17H,4-14H2,1-3H3,(H,26,28)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.				Bioorg Med Chem Lett 5: 167-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z03833
					More data for this Ligand-Target Pair
Sterol O-acyltransferase, Soat (Rattus norvegicus)	BDBM50450334 (CHEMBL49957) Show SMILES CCCCCCCN(CCCCCSc1[nH]cnc2ncnc12)C(=O)NC(C)C Show InChI InChI=1S/C21H36N6OS/c1-4-5-6-7-9-12-27(21(28)26-17(2)3)13-10-8-11-14-29-20-18-19(23-15-22-18)24-16-25-20/h15-17H,4-14H2,1-3H3,(H,26,28)(H,22,23,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.				Bioorg Med Chem Lett 5: 167-72 (1995) BindingDB Entry DOI: 10.7270/Q2Z03833
					More data for this Ligand-Target Pair