BDBM124109 US8754105, 16

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

InChI Key: InChIKey=XQNSGMJILVCEJU-RKSFHJAHSA-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 = 124109   

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)	BDBM124109 (US8754105, 16) 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)=O)nc(Cl)cc2c1 |r,c:21| Show InChI InChI=1S/C26H28ClN3O7/c1-35-17-7-8-19-15(10-17)11-21(27)28-23(19)37-18-12-20-22(31)29-26(24(32)33)13-16(26)6-4-2-3-5-9-36-25(34)30(20)14-18/h4,6-8,10-11,16,18,20H,2-3,5,9,12-14H2,1H3,(H,29,31)(H,32,33)/b6-4-/t16-,18-,20+,26-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+3	-8.32	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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