null

SMILES: COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12

InChI Key: InChIKey=KZHDFEYBWTZJGE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50120042   

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
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120042 (2-{[2-(4-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...) Show SMILES COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O7P/c1-26-15-8-11(20(27)24-14(21(28)29)10-34(30,31)32)6-7-12(15)23-18(26)9-17-22-13-4-3-5-16(33-2)19(13)25-17/h3-8,14H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus)	BDBM50120042 (2-{[2-(4-Methoxy-1H-benzoimidazol-2-ylmethyl)-3-me...) Show SMILES COc1cccc2[nH]c(Cc3nc4ccc(cc4n3C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc12 Show InChI InChI=1S/C21H22N5O7P/c1-26-15-8-11(20(27)24-14(21(28)29)10-34(30,31)32)6-7-12(15)23-18(26)9-17-22-13-4-3-5-16(33-2)19(13)25-17/h3-8,14H,9-10H2,1-2H3,(H,22,25)(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair