BDBM229592 US9334279, 1068

SMILES: COc1cccc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1

InChI Key: InChIKey=WBAFUAKMJWHTEY-HJALUHQBSA-N

Data: 1 EC50

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 = 229592   

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 protease (Hepatitis C virus genotype 1b (strain J4L2S) (HCV))	BDBM229592 (US9334279, 1068) Show SMILES COc1cccc(O[C@@H]2C[C@@H]3N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)[C@H](C)C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2(C)CC2)n1 |r,c:35| Show InChI InChI=1S/C35H48F3N5O9S/c1-20-10-7-8-11-22-18-34(22,30(46)42-53(48,49)33(5)14-15-33)41-28(44)24-17-23(51-26-13-9-12-25(39-26)50-6)19-43(24)29(45)27(21(2)16-20)40-31(47)52-32(3,4)35(36,37)38/h8-9,11-13,20-24,27H,7,10,14-19H2,1-6H3,(H,40,47)(H,41,44)(H,42,46)/b11-8-/t20-,21-,22?,23-,24+,27+,34-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent									US Patent US9334279 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R1W
					More data for this Ligand-Target Pair