BDBM50385517 CHEMBL2040571

SMILES: CCC(C)CNC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1

InChI Key: InChIKey=DNDCERUIWMANHD-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 = 50385517   

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)	BDBM50385517 (CHEMBL2040571) Show SMILES CCC(C)CNC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1 Show InChI InChI=1S/C14H17N5O3/c1-3-8(2)6-17-13(21)10-11(20)14(22)19-12(18-10)9-7-15-4-5-16-9/h4-5,7-8,20H,3,6H2,1-2H3,(H,17,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.05E+4	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)	BDBM50385517 (CHEMBL2040571) Show SMILES CCC(C)CNC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1 Show InChI InChI=1S/C14H17N5O3/c1-3-8(2)6-17-13(21)10-11(20)14(22)19-12(18-10)9-7-15-4-5-16-9/h4-5,7-8,20H,3,6H2,1-2H3,(H,17,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.17E+5	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