Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50135843' 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 |
|---|
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50135843
(Bicyclic Guanidinium Subunit | CHEMBL216653)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)[C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |c:52| Show InChI InChI=1S/C69H90N10O11SSi/c1-46(2)37-56(64(84)75-57(39-59(70)80)65(85)77-58(38-49-23-13-8-14-24-49)67(87)89-42-51-27-17-10-18-28-51)76-66(86)62(48(4)88-41-50-25-15-9-16-26-50)78-63(83)47(3)72-60(81)40-71-61(82)45-91-44-53-34-36-79-35-33-52(73-68(79)74-53)43-90-92(69(5,6)7,54-29-19-11-20-30-54)55-31-21-12-22-32-55/h8-32,46-48,52-53,56-58,62H,33-45H2,1-7H3,(H2,70,80)(H,71,82)(H,72,81)(H,73,74)(H,75,84)(H,76,86)(H,77,85)(H,78,83)/p+1/t47-,48+,52?,53?,56-,57-,58-,62-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Aut£noma de Madrid
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 Protease |
J Med Chem 46: 5196-207 (2003)
Article DOI: 10.1021/jm030871u
BindingDB Entry DOI: 10.7270/Q2C53MKZ |
More data for this
Ligand-Target Pair | |
Gag-Pol polyprotein [489-587]
(Human immunodeficiency virus type 1) | BDBM50135843
(Bicyclic Guanidinium Subunit | CHEMBL216653)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CSCC1CCN2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[NH+]=C2N1)[C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |c:52| Show InChI InChI=1S/C69H90N10O11SSi/c1-46(2)37-56(64(84)75-57(39-59(70)80)65(85)77-58(38-49-23-13-8-14-24-49)67(87)89-42-51-27-17-10-18-28-51)76-66(86)62(48(4)88-41-50-25-15-9-16-26-50)78-63(83)47(3)72-60(81)40-71-61(82)45-91-44-53-34-36-79-35-33-52(73-68(79)74-53)43-90-92(69(5,6)7,54-29-19-11-20-30-54)55-31-21-12-22-32-55/h8-32,46-48,52-53,56-58,62H,33-45H2,1-7H3,(H2,70,80)(H,71,82)(H,72,81)(H,73,74)(H,75,84)(H,76,86)(H,77,85)(H,78,83)/p+1/t47-,48+,52?,53?,56-,57-,58-,62-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Aut£noma de Madrid
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 Protease |
J Med Chem 46: 5196-207 (2003)
Article DOI: 10.1021/jm030871u
BindingDB Entry DOI: 10.7270/Q2C53MKZ |
More data for this
Ligand-Target Pair | |
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