BDBM229534 US9334279, 1010

SMILES: CC(C)Oc1ccc(cc1)-c1cc(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)cc(n1)-c1ccncc1

InChI Key: InChIKey=OPIAAHGPDXRLIW-KRNGOOGYSA-N

Data: 2 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 2 hits for monomerid = 229534   

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))	BDBM229534 (US9334279, 1010) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(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)cc(n1)-c1ccncc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	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
NS3/4A protease (Hepatitis C virus genotype 1a (strain H77) (HCV))	BDBM229534 (US9334279, 1010) Show SMILES CC(C)Oc1ccc(cc1)-c1cc(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)cc(n1)-c1ccncc1 |r,c:42| Show InChI InChI=1S/C48H59F3N6O9S/c1-28(2)64-34-14-12-31(13-15-34)37-23-35(24-38(53-37)32-16-20-52-21-17-32)65-36-25-39-41(58)55-47(43(60)56-67(62,63)46(7)18-19-46)26-33(47)11-9-8-10-29(3)22-30(4)40(42(59)57(39)27-36)54-44(61)66-45(5,6)48(49,50)51/h9,11-17,20-21,23-24,28-30,33,36,39-40H,8,10,18-19,22,25-27H2,1-7H3,(H,54,61)(H,55,58)(H,56,60)/b11-9-/t29-,30+,33?,36+,39-,40-,47+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description HCV replicon luciferase assays were developed to monitor the inhibitory effects of compounds described in the disclosure on HCV genotypes 1a and 1b v...				US Patent US9334279 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R1W
					More data for this Ligand-Target Pair