BDBM403639 (1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-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 49

SMILES: COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=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=LKOXVAYHUDUFSJ-FDTQFHBYSA-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 = 403639   

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))	BDBM403639 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=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/C42H56F2N6O9S/c1-21-31-20-50(32(21)35(51)48-42(19-26(42)34(43)44)38(53)49-60(55,56)41(5)14-15-41)37(52)33(40(2,3)4)47-39(54)59-30-17-22-16-25(22)24(30)10-8-7-9-11-28-36(58-31)46-29-18-23(57-6)12-13-27(29)45-28/h12-13,18,21-22,24-26,30-34H,7-11,14-17,19-20H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,24-,25+,26+,30-,31+,32+,33-,42-/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))	BDBM403639 ((1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[...) Show SMILES COc1ccc2nc3CCCCC[C@@H]4[C@H]5C[C@H]5C[C@H]4OC(=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/C42H56F2N6O9S/c1-21-31-20-50(32(21)35(51)48-42(19-26(42)34(43)44)38(53)49-60(55,56)41(5)14-15-41)37(52)33(40(2,3)4)47-39(54)59-30-17-22-16-25(22)24(30)10-8-7-9-11-28-36(58-31)46-29-18-23(57-6)12-13-27(29)45-28/h12-13,18,21-22,24-26,30-34H,7-11,14-17,19-20H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22+,24-,25+,26+,30-,31+,32+,33-,42-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0700	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