BDBM50385487 CHEMBL2040577

SMILES: COc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2cnccn2)cc1

InChI Key: InChIKey=NDPSNGLDLUJITM-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 = 50385487   

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)	BDBM50385487 (CHEMBL2040577) Show SMILES COc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2cnccn2)cc1 Show InChI InChI=1S/C17H15N5O4/c1-26-11-4-2-10(3-5-11)8-20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-6-7-19-12/h2-7,9,23H,8H2,1H3,(H,20,24)(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+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)	BDBM50385487 (CHEMBL2040577) Show SMILES COc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2cnccn2)cc1 Show InChI InChI=1S/C17H15N5O4/c1-26-11-4-2-10(3-5-11)8-20-16(24)13-14(23)17(25)22-15(21-13)12-9-18-6-7-19-12/h2-7,9,23H,8H2,1H3,(H,20,24)(H,21,22,25)	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	3.53E+4	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