BDBM50426431 CHEMBL2322362

SMILES: Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)S(C)(=O)=O

InChI Key: InChIKey=POKZTVXFAGESFV-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 = 50426431   

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))	BDBM50426431 (CHEMBL2322362) Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)S(C)(=O)=O Show InChI InChI=1S/C28H27N5O3S/c1-17-12-18(2)23(13-22(17)27-31-24-14-26(37(3,35)36)30-16-25(24)32-27)28(34)33-10-8-21(9-11-33)20-6-4-19(15-29)5-7-20/h4-7,12-14,16,21H,8-11H2,1-3H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
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 US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50426431 (CHEMBL2322362) Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)S(C)(=O)=O Show InChI InChI=1S/C28H27N5O3S/c1-17-12-18(2)23(13-22(17)27-31-24-14-26(37(3,35)36)30-16-25(24)32-27)28(34)33-10-8-21(9-11-33)20-6-4-19(15-29)5-7-20/h4-7,12-14,16,21H,8-11H2,1-3H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
3-V Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human FASN assessed as release of co-enzyme A				ACS Med Chem Lett 4: 113-7 (2013) Article DOI: 10.1021/ml300335r BindingDB Entry DOI: 10.7270/Q2P84D76
					More data for this Ligand-Target Pair
Fatty acid synthase (Rattus norvegicus)	BDBM50426431 (CHEMBL2322362) Show SMILES Cc1cc(C)c(cc1C(=O)N1CCC(CC1)c1ccc(cc1)C#N)-c1nc2cc(ncc2[nH]1)S(C)(=O)=O Show InChI InChI=1S/C28H27N5O3S/c1-17-12-18(2)23(13-22(17)27-31-24-14-26(37(3,35)36)30-16-25(24)32-27)28(34)33-10-8-21(9-11-33)20-6-4-19(15-29)5-7-20/h4-7,12-14,16,21H,8-11H2,1-3H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
3-V Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of rat FASN assessed as release of co-enzyme A				ACS Med Chem Lett 4: 113-7 (2013) Article DOI: 10.1021/ml300335r BindingDB Entry DOI: 10.7270/Q2P84D76
					More data for this Ligand-Target Pair