BDBM183589 US9145354, 241

SMILES: CC[C@@H](N[C@H](C)CC(=O)NCCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F

InChI Key: InChIKey=PHFJRQMCZKKNJQ-MLGOLLRUSA-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 = 183589   

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))	BDBM183589 (US9145354, 241) Show SMILES CC[C@@H](N[C@H](C)CC(=O)NCCN)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r| Show InChI InChI=1S/C21H27ClFN5O2/c1-3-16(28-12(2)10-18(29)26-9-8-24)14-5-6-15(22)19(20(14)23)21(30)13-4-7-17(25)27-11-13/h4-7,11-12,16,28H,3,8-10,24H2,1-2H3,(H2,25,27)(H,26,29)/t12-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	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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