BDBM403635 (1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-14-methoxy-1a,9-dimethyl-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide::US10335409, Example 45

SMILES: COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C

InChI Key: InChIKey=MNHGLXOTVCNTAC-WTIKGZDESA-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 = 403635   

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))	BDBM403635 ((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C40H54F2N6O9S/c1-21-28-20-48(29(21)32(49)46-40(19-24(40)31(41)42)35(51)47-58(53,54)38(5)15-16-38)34(50)30(37(2,3)4)45-36(52)57-39(6)18-22(39)11-9-8-10-12-26-33(56-28)44-27-17-23(55-7)13-14-25(27)43-26/h13-14,17,21-22,24,28-31H,8-12,15-16,18-20H2,1-7H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22+,24+,28+,29+,30-,39+,40-/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
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403635 ((1aS,5S,8S,9S,10R,22aS)-5-tert-butyl-N-[(1R,2R)-2-...) Show SMILES COc1ccc2nc3CCCCC[C@H]4C[C@]4(C)OC(=O)N[C@H](C(=O)N4C[C@H](Oc3nc2c1)[C@@H](C)[C@H]4C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(C)(C)C |r| Show InChI InChI=1S/C40H54F2N6O9S/c1-21-28-20-48(29(21)32(49)46-40(19-24(40)31(41)42)35(51)47-58(53,54)38(5)15-16-38)34(50)30(37(2,3)4)45-36(52)57-39(6)18-22(39)11-9-8-10-12-26-33(56-28)44-27-17-23(55-7)13-14-25(27)43-26/h13-14,17,21-22,24,28-31H,8-12,15-16,18-20H2,1-7H3,(H,45,52)(H,46,49)(H,47,51)/t21-,22+,24+,28+,29+,30-,39+,40-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.480	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