BDBM403658 (4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-21,21-difluoro-17-methoxy-12-methyl-6,9-dioxo-2,3,4,4a,6,7,8,9,12,13,21,22,23,24,25,25a-hexadecahydro-1H,11H-10,13-methanoquinoxalino[2,3-k][1,10,3,6]benzodioxadiazacyclononadecine-11-carboxamide::US10335409, Example 68

SMILES: COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1

InChI Key: InChIKey=KQKHNHGQVZTBDZ-GZVVMZRGSA-N

Data: 2 KI

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 = 403658   

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 serine protease (NS3) (Hepatitis C Virus (Virus))	BDBM403658 ((4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)...) Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1 |r,c:47| Show InChI InChI=1S/C41H52F4N6O9S/c1-21-29-20-51(30(21)34(52)49-40(19-25(40)33(42)43)37(54)50-61(56,57)24-14-15-24)36(53)32(39(2,3)4)48-38(55)60-28-12-7-6-10-22(28)11-8-9-17-41(44,45)31-35(59-29)47-27-18-23(58-5)13-16-26(27)46-31/h6,10,13,16,18,21-22,24-25,28-30,32-33H,7-9,11-12,14-15,17,19-20H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22+,25+,28-,29+,30+,32-,40-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403658 ((4aR,8S,11 S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)...) Show SMILES COc1ccc2nc3c(O[C@H]4CN([C@@H]([C@@H]4C)C(=O)N[C@@]4(C[C@H]4C(F)F)C(=O)NS(=O)(=O)C4CC4)C(=O)[C@@H](NC(=O)O[C@@H]4CCC=C[C@H]4CCCCC3(F)F)C(C)(C)C)nc2c1 |r,c:47| Show InChI InChI=1S/C41H52F4N6O9S/c1-21-29-20-51(30(21)34(52)49-40(19-25(40)33(42)43)37(54)50-61(56,57)24-14-15-24)36(53)32(39(2,3)4)48-38(55)60-28-12-7-6-10-22(28)11-8-9-17-41(44,45)31-35(59-29)47-27-18-23(58-5)13-16-26(27)46-31/h6,10,13,16,18,21-22,24-25,28-30,32-33H,7-9,11-12,14-15,17,19-20H2,1-5H3,(H,48,55)(H,49,52)(H,50,54)/t21-,22+,25+,28-,29+,30+,32-,40-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Purified NS3 protease domain (amino acids 1-181) of the genotype 1b and 3a virus were generated as above. The internally quenched fluorogenic depsipe...				PubChem Bioassay (2006) BindingDB Entry DOI: 10.7270/Q2930WJC
					More data for this Ligand-Target Pair