Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 682.0 BDBM50385498

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polymerase acidic protein (Hepatitis C virus)	BDBM50385498 (CHEMBL2040551) Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC1)C(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(18.46,-2.91,;17.13,-3.68,;17.13,-5.22,;15.79,-2.91,;15.79,-1.37,;14.46,-3.68,;13.13,-2.91,;13.13,-1.37,;11.79,-3.68,;12.73,-4.9,;12.73,-6.44,;11.4,-7.21,;11.4,-8.75,;12.73,-9.52,;12.73,-11.06,;14.06,-8.75,;14.06,-7.21,;10.86,-4.9,;9.33,-4.7,;8.74,-3.28,;9.68,-2.06,;11.2,-2.26,;7.21,-3.08,;6.28,-4.3,;6.62,-1.66,;7.56,-.43,;6.97,.99,;5.44,1.19,;4.51,-.03,;5.1,-1.45,;2.97,-.03,;1.54,.56,;3.17,-1.56,;4.86,2.61,;5.79,3.83,;7.32,3.63,;8.26,4.86,;7.67,6.28,;8.61,7.5,;6.14,6.48,;5.2,5.26,;3.68,5.46,;2.74,4.24,;1.21,4.44,;.28,3.22,;-1.25,3.42,;.86,1.79,;2.39,1.59,;3.33,2.81,)| Show InChI InChI=1S/C37H28ClNO10/c38-22-4-1-20(2-5-22)19-37(32(43)18-29(42)36(47)48)11-13-39(14-12-37)34(44)21-3-8-25(28(15-21)35(45)46)33-26-9-6-23(40)16-30(26)49-31-17-24(41)7-10-27(31)33/h1-10,15-17,40H,11-14,18-19H2,(H,45,46)(H,47,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	350	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 (Direct)				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