BDBM403628 (1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-14-methoxy-9-methyl-5-(1-methylcyclopentyl)-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 38

SMILES: COc1ccc2nc(Cl)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]3CCCC=C)C3(C)CCCC3)nc2c1

InChI Key: InChIKey=WYLYOYPZMIJNPP-CVNUXGKESA-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 = 403628   

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))	BDBM403628 ((1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluor...) Show SMILES COc1ccc2nc(Cl)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]3CCCC=C)C3(C)CCCC3)nc2c1 |r| Show InChI InChI=1S/C36H49ClN4O7/c1-8-9-10-13-22-18-26(22)47-34(44)40-29(36(6)16-11-12-17-36)32(42)41-20-27(21(2)28(41)33(43)48-35(3,4)5)46-31-30(37)38-24-15-14-23(45-7)19-25(24)39-31/h8,14-15,19,21-22,26-29H,1,9-13,16-18,20H2,2-7H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank 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
Genome polyprotein (Hepatitis C virus genotype 3a (isolate k3a) (HCV))	BDBM403628 ((1aR,5S,8S,9S,10R,22aR)—N-[(1R,2R)-2-(difluor...) Show SMILES COc1ccc2nc(Cl)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]3CCCC=C)C3(C)CCCC3)nc2c1 |r| Show InChI InChI=1S/C36H49ClN4O7/c1-8-9-10-13-22-18-26(22)47-34(44)40-29(36(6)16-11-12-17-36)32(42)41-20-27(21(2)28(41)33(43)48-35(3,4)5)46-31-30(37)38-24-15-14-23(45-7)19-25(24)39-31/h8,14-15,19,21-22,26-29H,1,9-13,16-18,20H2,2-7H3,(H,40,44)/t21-,22-,26-,27+,28+,29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	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