BDBM50124410 CHEMBL3623457

SMILES: Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2ccncc2c1

InChI Key: InChIKey=LBMQPVHFTNDFBZ-INIZCTEOSA-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 = 50124410   

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))	BDBM50124410 (CHEMBL3623457) Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2ccncc2c1 |r,wU:10.10,(-7.75,.95,;-6.68,1.56,;-5.35,.78,;-4.01,1.54,;-4,3.08,;-5.33,3.86,;-6.67,3.1,;-8,3.88,;-8.13,5.4,;-6.97,6.42,;-7.27,7.93,;-6.22,9.04,;-6.97,10.38,;-8.48,10.08,;-8.66,8.55,;-9.62,11.12,;-9.35,12.32,;-11.09,10.66,;-12.5,11.02,;-12.04,9.55,;-9.63,5.73,;-10.41,4.41,;-9.39,3.25,;-9.65,2.05,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H24FN5O2/c27-22-13-20(19-4-1-17-7-9-28-14-21(17)12-19)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)18-2-3-18/h1,4-7,9,12-14,16,18H,2-3,8,10-11,15H2,(H,30,34)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Alabama Curated by ChEMBL					Assay Description Inhibition of fatty acid synthase (unknown origin)				Bioorg Med Chem Lett 25: 4363-9 (2015) BindingDB Entry DOI: 10.7270/Q2057HR2
					More data for this Ligand-Target Pair