BDBM403652 (1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-19,19-difluoro-15-methoxy-10-methyl-4,7-dioxo-1a,2,2a,4,5,6,7,10,11,19,20,21,22,23,23a,23b-hexadecahydro-1H,9H-8,11-methanocyclopropa[4′,5′]cyclopenta[1′,2′:18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-9-carboxamide::US10335409, Example 62

SMILES: COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C

InChI Key: InChIKey=PUKAIEAMAXPZIP-IRLVCTRQSA-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 = 403652   

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
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403652 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	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
NS3 serine protease (NS3) (Hepatitis C Virus (Virus))	BDBM403652 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc(c(O[C@H]3CN([C@@H]([C@@H]3C)C(=O)OC(C)(C)C)C(=O)[C@@H](NC(=O)O[C@@H]3C[C@@H]4C[C@@H]4[C@H]3CCC=C)C(C)(C)C)nc2c1)C(F)(F)C=C |r| Show InChI InChI=1S/C39H52F2N4O7/c1-11-13-14-24-25-17-22(25)18-28(24)51-36(48)44-32(37(4,5)6)34(46)45-20-29(21(3)30(45)35(47)52-38(7,8)9)50-33-31(39(40,41)12-2)42-26-16-15-23(49-10)19-27(26)43-33/h11-12,15-16,19,21-22,24-25,28-30,32H,1-2,13-14,17-18,20H2,3-10H3,(H,44,48)/t21-,22+,24-,25+,28-,29+,30+,32-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	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