BDBM183605 US9145354, 263

SMILES: C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F

InChI Key: InChIKey=XKAUDUVIUBRRIV-LAJNKCICSA-N

Data: 1 IC50

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 = 183605   

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
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM183605 (US9145354, 263) Show SMILES C[C@@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r| Show InChI InChI=1S/C22H24ClFN2O3/c1-12(10-18(25)28)26-21(14-6-7-14)16-8-9-17(23)19(20(16)24)22(29)15-4-2-13(11-27)3-5-15/h2-5,8-9,12,14,21,26-27H,6-7,10-11H2,1H3,(H2,25,28)/t12-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	25
ASTEX THERAPEUTICS LIMITED US Patent					Assay Description The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...				US Patent US9145354 (2015) BindingDB Entry DOI: 10.7270/Q2VH5MMZ
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