BDBM50385492 CHEMBL2040582

SMILES: C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccc(C)cc1

InChI Key: InChIKey=WKIBWZYXHKGROE-LLVKDONJSA-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 = 50385492   

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)	BDBM50385492 (CHEMBL2040582) Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccc(C)cc1 Show InChI InChI=1S/C18H17N5O3/c1-10-3-5-12(6-4-10)11(2)21-17(25)14-15(24)18(26)23-16(22-14)13-9-19-7-8-20-13/h3-9,11,24H,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.61E+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)	BDBM50385492 (CHEMBL2040582) Show SMILES C[C@@H](NC(=O)c1nc([nH]c(=O)c1O)-c1cnccn1)c1ccc(C)cc1 Show InChI InChI=1S/C18H17N5O3/c1-10-3-5-12(6-4-10)11(2)21-17(25)14-15(24)18(26)23-16(22-14)13-9-19-7-8-20-13/h3-9,11,24H,1-2H3,(H,21,25)(H,22,23,26)/t11-/m1/s1	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	5.52E+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