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SMILES: COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(nc1)-c1cc(F)c(c2CC3(CCCC3)Cc12)-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=CUWXAZIRPXQUMT-QSWWHUPUSA-N

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 = 241855   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Genome polyprotein [1973-2419]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
BDBM241855
PNG
(US9416139, 33)
Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(nc1)-c1cc(F)c(c2CC3(CCCC3)Cc12)-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C51H58FN9O7/c1-27(2)42(57-49(65)67-5)47(63)60-19-9-11-39(60)44-54-26-38(56-44)30-14-15-36(53-25-30)31-22-35(52)41(34-24-51(23-33(31)34)17-7-8-18-51)29-13-16-37-32(21-29)46(62)59-45(55-37)40-12-10-20-61(40)48(64)43(28(3)4)58-50(66)68-6/h13-16,21-22,25-28,39-40,42-43H,7-12,17-20,23-24H2,1-6H3,(H,57,65)(H,58,66)/b36-31-,38-30+,41-29-/t39-,40-,42?,43-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0220n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The Huh-7 cells transfected with HCV replicons system were seeded into 96-well plates (8,000 cells in 125 μL/well) respectively; each test compoun...


US Patent US9416139 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81C0T
More data for this
Ligand-Target Pair
Genome polyprotein [1973-2420]


(Hepatitis C virus genotype 1a (HCV))
BDBM241855
PNG
(US9416139, 33)
Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(nc1)-c1cc(F)c(c2CC3(CCCC3)Cc12)-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Show InChI InChI=1S/C51H58FN9O7/c1-27(2)42(57-49(65)67-5)47(63)60-19-9-11-39(60)44-54-26-38(56-44)30-14-15-36(53-25-30)31-22-35(52)41(34-24-51(23-33(31)34)17-7-8-18-51)29-13-16-37-32(21-29)46(62)59-45(55-37)40-12-10-20-61(40)48(64)43(28(3)4)58-50(66)68-6/h13-16,21-22,25-28,39-40,42-43H,7-12,17-20,23-24H2,1-6H3,(H,57,65)(H,58,66)/b36-31-,38-30+,41-29-/t39-,40-,42?,43-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0780n/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
The Huh-7 cells transfected with HCV replicons system were seeded into 96-well plates (8,000 cells in 125 μL/well) respectively; each test compoun...


US Patent US9416139 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81C0T
More data for this
Ligand-Target Pair