BDBM183611 US9145354, 275

SMILES: COc1cc(ccc1C#N)C(=O)c1c(Cl)ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c1F

InChI Key: InChIKey=XKZIQGXZLOPEEN-AMXDTQDGSA-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 = 183611   

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))	BDBM183611 (US9145354, 275) Show SMILES COc1cc(ccc1C#N)C(=O)c1c(Cl)ccc([C@H](N[C@@H](C)CC(N)=O)C2CC2)c1F |r| Show InChI InChI=1S/C23H23ClFN3O3/c1-12(9-19(27)29)28-22(13-3-4-13)16-7-8-17(24)20(21(16)25)23(30)14-5-6-15(11-26)18(10-14)31-2/h5-8,10,12-13,22,28H,3-4,9H2,1-2H3,(H2,27,29)/t12-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	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
					More data for this Ligand-Target Pair