BDBM50526404 CHEMBL4548362

SMILES: OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ocnc2c1

InChI Key: InChIKey=FCRNCDLZKRUUEK-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 = 50526404   

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))	BDBM50526404 (CHEMBL4548362) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ocnc2c1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of FASN in human BT474 cells preincubated for 1 hr followed by [14C]-acetate addition and measured after 4 hrs by scintillation counting a...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50526404 (CHEMBL4548362) Show SMILES OC1(CC1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ocnc2c1 Show InChI InChI=1S/C22H21N3O4/c26-20(24-9-11-25(12-10-24)21(27)22(28)7-8-22)16-3-1-15(2-4-16)17-5-6-19-18(13-17)23-14-29-19/h1-6,13-14,28H,7-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
FORMA Therapeutics Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FASN using acetyl-CoA/malonyl-CoA as substrate preincubated for 60 mins followed by substrate addition an...				Bioorg Med Chem Lett 29: 1001-1006 (2019) Article DOI: 10.1016/j.bmcl.2019.02.012
					More data for this Ligand-Target Pair