BDBM244722 US10226449, cpd 332::US9428502, 332

SMILES: Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1

InChI Key: InChIKey=BRJYPRNAXRATDU-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 = 244722   

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
Fatty acid synthase (Homo sapiens (Human))	BDBM244722 (US10226449, cpd 332 | US9428502, 332) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1 |(-2.01,4.01,;-3.35,3.24,;-4.81,3.72,;-5.72,2.47,;-4.81,1.22,;-3.35,1.7,;-2.01,.93,;-.68,1.7,;.65,.93,;.65,-.61,;-.68,-1.38,;-2.01,-.61,;-3.35,-1.38,;1.99,1.7,;1.99,3.24,;3.32,.93,;3.72,-.56,;5.21,-.16,;4.81,1.33,;6.54,-.93,;6.54,-2.47,;7.88,-3.24,;9.26,-2.5,;9.21,-.93,;7.88,-.16,;10.59,-3.27,;11.92,-4.04,;-7.26,2.47,;-8.03,3.8,;-9.57,3.8,;-10.34,2.47,;-11.88,2.47,;-9.57,1.14,;-8.03,1.14,)| Show InChI InChI=1S/C28H30N4O2/c1-17-3-6-22(28(34)32-15-23(16-32)20-7-4-19(14-29)5-8-20)13-25(17)26-18(2)30-27(31-26)21-9-11-24(33)12-10-21/h3-8,13,21,23-24,33H,9-12,15-16H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244722 (US10226449, cpd 332 | US9428502, 332) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1 |(-2.01,4.01,;-3.35,3.24,;-4.81,3.72,;-5.72,2.47,;-4.81,1.22,;-3.35,1.7,;-2.01,.93,;-.68,1.7,;.65,.93,;.65,-.61,;-.68,-1.38,;-2.01,-.61,;-3.35,-1.38,;1.99,1.7,;1.99,3.24,;3.32,.93,;3.72,-.56,;5.21,-.16,;4.81,1.33,;6.54,-.93,;6.54,-2.47,;7.88,-3.24,;9.26,-2.5,;9.21,-.93,;7.88,-.16,;10.59,-3.27,;11.92,-4.04,;-7.26,2.47,;-8.03,3.8,;-9.57,3.8,;-10.34,2.47,;-11.88,2.47,;-9.57,1.14,;-8.03,1.14,)| Show InChI InChI=1S/C28H30N4O2/c1-17-3-6-22(28(34)32-15-23(16-32)20-7-4-19(14-29)5-8-20)13-25(17)26-18(2)30-27(31-26)21-9-11-24(33)12-10-21/h3-8,13,21,23-24,33H,9-12,15-16H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair