BDBM124110 US8754105, 17

SMILES: COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)nc(Cl)cc2c1

InChI Key: InChIKey=KMRSRQTYTCFVAX-LTYXBVNVSA-N

Data: 1 KI

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 1 hit for monomerid = 124110   

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
NS3/4A protein (Hepatitis C virus)	BDBM124110 (US8754105, 17) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)nc(Cl)cc2c1 |r,c:21| Show InChI InChI=1S/C29H33ClN4O8S/c1-40-19-7-10-22-17(12-19)13-24(30)31-26(22)42-20-14-23-25(35)32-29(27(36)33-43(38,39)21-8-9-21)15-18(29)6-4-2-3-5-11-41-28(37)34(23)16-20/h4,6-7,10,12-13,18,20-21,23H,2-3,5,8-9,11,14-16H2,1H3,(H,32,35)(H,33,36)/b6-4-/t18-,20-,23+,29-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	43	-10.2	n/a	n/a	n/a	n/a	n/a	7.5	30
Medivir AB; Janssen R&D Ireland US Patent					Assay Description The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...				US Patent US8754105 (2014) BindingDB Entry DOI: 10.7270/Q2QC0250
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