BDBM124111 US8754105, 24

SMILES: COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=AWQPGSZGZVXQPF-WKELZURCSA-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 = 124111   

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)	BDBM124111 (US8754105, 24) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1)-c1ccccc1 |r,c:22| Show InChI InChI=1S/C33H35N3O7/c1-41-23-13-14-25-27(16-23)34-26(21-10-6-5-7-11-21)18-29(25)43-24-17-28-30(37)35-33(31(38)39)19-22(33)12-8-3-2-4-9-15-42-32(40)36(28)20-24/h5-8,10-14,16,18,22,24,28H,2-4,9,15,17,19-20H2,1H3,(H,35,37)(H,38,39)/b12-8-/t22-,24-,28+,33-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	40	-10.3	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
					More data for this Ligand-Target Pair