Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM403662' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Genome polyprotein
(Hepatitis C Virus (Virus)) | BDBM403662
((4aS,8S,11S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)-...)Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[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)C1CC1)C(C)(C)C |r,wU:35.40,37.43,41.53,43.50,19.19,wD:13.12,24.63,29.30,41.46,(1.64,7.11,;.3,7.88,;-1.03,7.11,;-2.37,7.88,;-3.7,7.11,;-3.7,5.57,;-5.03,4.8,;-5.03,3.26,;-6.37,2.49,;-6.37,.95,;-7.7,.18,;-7.7,-1.36,;-9.39,-2.49,;-9.39,-4.03,;-10.73,-4.8,;-10.73,-6.34,;-9.39,-7.11,;-9.39,-5.57,;-8.06,-6.34,;-8.06,-4.8,;-6.73,-4.03,;-5.39,-4.8,;-5.39,-6.34,;-4.06,-4.03,;-2.73,-4.8,;-1.39,-4.03,;-.06,-4.8,;-1.39,-2.49,;-2.64,-1.59,;-2.16,-.12,;-3.7,.95,;-3.7,2.49,;-2.37,3.26,;-2.37,4.8,;-1.03,5.57,;-.62,-.12,;.15,1.21,;-.15,-1.59,;1.19,-2.36,;1.19,-3.9,;2.52,-1.59,;3.85,-2.36,;4.62,-3.69,;3.08,-3.69,;3.08,-5.23,;4.42,-6,;1.75,-6,;5.19,-1.59,;5.19,-.05,;6.52,-2.36,;7.85,-1.59,;6.77,-.5,;8.94,-.5,;9.19,-2.36,;9.96,-3.69,;10.73,-2.36,;-2.73,-6.34,;-1.39,-7.11,;-4.06,-7.11,;-2.73,-7.88,)| Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(33(21)36(51)48-42(19-27(42)35(43)44)39(53)49-60(55,56)25-12-13-25)38(52)34(41(2,3)4)47-40(54)59-31-17-22-15-23(16-22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22?,23?,26+,27+,31+,32+,33+,34-,42-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| 0.0500 | 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)) | BDBM403662
((4aS,8S,11S,12S,13R,25aS)-8-tert-butyl-N-[(1R,2R)-...)Show SMILES COc1ccc2nc3CCCCC[C@H]4C5CC(C5)C[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)C1CC1)C(C)(C)C |r,wU:35.40,37.43,41.53,43.50,19.19,wD:13.12,24.63,29.30,41.46,(1.64,7.11,;.3,7.88,;-1.03,7.11,;-2.37,7.88,;-3.7,7.11,;-3.7,5.57,;-5.03,4.8,;-5.03,3.26,;-6.37,2.49,;-6.37,.95,;-7.7,.18,;-7.7,-1.36,;-9.39,-2.49,;-9.39,-4.03,;-10.73,-4.8,;-10.73,-6.34,;-9.39,-7.11,;-9.39,-5.57,;-8.06,-6.34,;-8.06,-4.8,;-6.73,-4.03,;-5.39,-4.8,;-5.39,-6.34,;-4.06,-4.03,;-2.73,-4.8,;-1.39,-4.03,;-.06,-4.8,;-1.39,-2.49,;-2.64,-1.59,;-2.16,-.12,;-3.7,.95,;-3.7,2.49,;-2.37,3.26,;-2.37,4.8,;-1.03,5.57,;-.62,-.12,;.15,1.21,;-.15,-1.59,;1.19,-2.36,;1.19,-3.9,;2.52,-1.59,;3.85,-2.36,;4.62,-3.69,;3.08,-3.69,;3.08,-5.23,;4.42,-6,;1.75,-6,;5.19,-1.59,;5.19,-.05,;6.52,-2.36,;7.85,-1.59,;6.77,-.5,;8.94,-.5,;9.19,-2.36,;9.96,-3.69,;10.73,-2.36,;-2.73,-6.34,;-1.39,-7.11,;-4.06,-7.11,;-2.73,-7.88,)| Show InChI InChI=1S/C42H56F2N6O9S/c1-21-32-20-50(33(21)36(51)48-42(19-27(42)35(43)44)39(53)49-60(55,56)25-12-13-25)38(52)34(41(2,3)4)47-40(54)59-31-17-22-15-23(16-22)26(31)9-7-6-8-10-29-37(58-32)46-30-18-24(57-5)11-14-28(30)45-29/h11,14,18,21-23,25-27,31-35H,6-10,12-13,15-17,19-20H2,1-5H3,(H,47,54)(H,48,51)(H,49,53)/t21-,22?,23?,26+,27+,31+,32+,33+,34-,42-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 4.10 | 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 | |
Search and Browse
