BDBM50385519 CHEMBL2040574

SMILES: Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCc1ccccc1

InChI Key: InChIKey=UELFGZXFHREMPM-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 = 50385519   

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)	BDBM50385519 (CHEMBL2040574) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H13N5O3/c22-13-12(15(23)19-8-10-4-2-1-3-5-10)20-14(21-16(13)24)11-9-17-6-7-18-11/h1-7,9,22H,8H2,(H,19,23)(H,20,21,24)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	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)	BDBM50385519 (CHEMBL2040574) Show SMILES Oc1c(nc([nH]c1=O)-c1cnccn1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H13N5O3/c22-13-12(15(23)19-8-10-4-2-1-3-5-10)20-14(21-16(13)24)11-9-17-6-7-18-11/h1-7,9,22H,8H2,(H,19,23)(H,20,21,24)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.41E+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