BDBM50385500 CHEMBL2040552

SMILES: OC(=O)C(=O)CC(=O)c1ccc(cc1)N1CCNCC1

InChI Key: InChIKey=XXESJZNTNWPYGU-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50385500   

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
PA/PB1 (Hepatitis C virus)	BDBM50385500 (CHEMBL2040552) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C14H16N2O4/c17-12(9-13(18)14(19)20)10-1-3-11(4-2-10)16-7-5-15-6-8-16/h1-4,15H,5-9H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
PA/PB1 (Hepatitis C virus)	BDBM50385500 (CHEMBL2040552) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C14H16N2O4/c17-12(9-13(18)14(19)20)10-1-3-11(4-2-10)16-7-5-15-6-8-16/h1-4,15H,5-9H2,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair