Found 2 hits for monomerid = 50479067 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 |
|---|
Integrase
(Human immunodeficiency virus 1) | BDBM50479067
(CHEMBL452876)Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 |(-2.39,-9.08,;-2.4,-7.52,;-3.73,-6.76,;-5.07,-7.52,;-5.07,-9.07,;-6.4,-6.76,;-7.73,-7.53,;-9.06,-6.76,;-9.07,-5.21,;-7.73,-4.44,;-7.73,-2.91,;-6.39,-2.14,;-6.39,-.6,;-5.07,.17,;-5.06,1.7,;-6.39,2.47,;-7.73,1.7,;-7.73,.17,;-6.4,-5.21,;-1.06,-6.76,;-1.06,-5.21,;.28,-7.52,;1.59,-6.72,;2.94,-7.45,;4.26,-6.64,;4.22,-5.11,;2.87,-4.37,;1.54,-5.17,;5.53,-4.31,;5.49,-2.77,;4.13,-2.02,;6.81,-1.96,;8.17,-2.7,;6.76,-.41,;8.08,.39,;9.44,-.35,;8.04,1.93,;9.36,2.73,;9.33,4.26,;7.97,4.99,;6.65,4.19,;5.3,4.92,;3.99,4.12,;2.63,4.85,;2.6,6.39,;1.25,7.12,;-.07,6.32,;-.02,4.78,;1.33,4.05,;6.69,2.65,)| Show InChI InChI=1S/C40H38N2O8/c43-35(29-13-7-15-33(21-29)49-25-27-9-3-1-4-10-27)23-37(45)39(47)41-31-17-19-32(20-18-31)42-40(48)38(46)24-36(44)30-14-8-16-34(22-30)50-26-28-11-5-2-6-12-28/h1-16,21-22,31-32H,17-20,23-26H2,(H,41,47)(H,42,48) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild-type HIV1 integrase strand transfer activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electropho... |
Bioorg Med Chem 16: 7777-87 (2008)
Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4 |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50479067
(CHEMBL452876)Show SMILES O=C(CC(=O)c1cccc(OCc2ccccc2)c1)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1 |(-2.39,-9.08,;-2.4,-7.52,;-3.73,-6.76,;-5.07,-7.52,;-5.07,-9.07,;-6.4,-6.76,;-7.73,-7.53,;-9.06,-6.76,;-9.07,-5.21,;-7.73,-4.44,;-7.73,-2.91,;-6.39,-2.14,;-6.39,-.6,;-5.07,.17,;-5.06,1.7,;-6.39,2.47,;-7.73,1.7,;-7.73,.17,;-6.4,-5.21,;-1.06,-6.76,;-1.06,-5.21,;.28,-7.52,;1.59,-6.72,;2.94,-7.45,;4.26,-6.64,;4.22,-5.11,;2.87,-4.37,;1.54,-5.17,;5.53,-4.31,;5.49,-2.77,;4.13,-2.02,;6.81,-1.96,;8.17,-2.7,;6.76,-.41,;8.08,.39,;9.44,-.35,;8.04,1.93,;9.36,2.73,;9.33,4.26,;7.97,4.99,;6.65,4.19,;5.3,4.92,;3.99,4.12,;2.63,4.85,;2.6,6.39,;1.25,7.12,;-.07,6.32,;-.02,4.78,;1.33,4.05,;6.69,2.65,)| Show InChI InChI=1S/C40H38N2O8/c43-35(29-13-7-15-33(21-29)49-25-27-9-3-1-4-10-27)23-37(45)39(47)41-31-17-19-32(20-18-31)42-40(48)38(46)24-36(44)30-14-8-16-34(22-30)50-26-28-11-5-2-6-12-28/h1-16,21-22,31-32H,17-20,23-26H2,(H,41,47)(H,42,48) | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of wild-type HIV1 integrase 3'-processing activity using [32P]-labeled linear oligonucleotide substrate by polyacrylamide gel electrophore... |
Bioorg Med Chem 16: 7777-87 (2008)
Article DOI: 10.1016/j.bmc.2008.07.008
BindingDB Entry DOI: 10.7270/Q2M90CG4 |
More data for this
Ligand-Target Pair | |
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