BDBM50385515 CHEMBL2040569

SMILES: Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCC1CC1

InChI Key: InChIKey=OKJFDVHTIVXZEU-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 = 50385515   

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)	BDBM50385515 (CHEMBL2040569) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCC1CC1 Show InChI InChI=1S/C13H13N5O3/c19-10-9(12(20)16-5-7-1-2-7)17-11(18-13(10)21)8-6-14-3-4-15-8/h3-4,6-7,19H,1-2,5H2,(H,16,20)(H,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	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)	BDBM50385515 (CHEMBL2040569) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCC1CC1 Show InChI InChI=1S/C13H13N5O3/c19-10-9(12(20)16-5-7-1-2-7)17-11(18-13(10)21)8-6-14-3-4-15-8/h3-4,6-7,19H,1-2,5H2,(H,16,20)(H,17,18,21)	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	3.66E+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