BDBM97798 US8476225, 59

SMILES: CC(C)(C)[C@H](NC(=O)OC(C)(C)C(F)(F)F)C(=O)N1CN(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=VIUNIQLBGWFWBQ-FUTDGGFISA-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 = 97798   

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
Serine protease NS3 (Hepatitis C virus genotype 1a (isolate 1) (HCV))	BDBM97798 (US8476225, 59) Show SMILES CC(C)(C)[C@H](NC(=O)OC(C)(C)C(F)(F)F)C(=O)N1CN(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C36H44F3N5O7S/c1-7-24-19-35(24,31(47)42-52(49,50)26-17-18-26)41-29(45)27-20-43(25-15-13-23(14-16-25)22-11-9-8-10-12-22)21-44(27)30(46)28(33(2,3)4)40-32(48)51-34(5,6)36(37,38)39/h7-16,24,26-28H,1,17-21H2,2-6H3,(H,40,48)(H,41,45)(H,42,47)/t24-,27+,28-,35-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	37
Gilead Sciences, Inc. US Patent					Assay Description Inhibition assay using HCV protease.				US Patent US8476225 (2013) BindingDB Entry DOI: 10.7270/Q2M32TD9
					More data for this Ligand-Target Pair