Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50187767' 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 |
|---|
Integrase
(Human immunodeficiency virus 1) | BDBM50187767
(CHEMBL378395 | ethyl 2-(7-(4-fluorobenzyl)-9-hydro...)Show SMILES CCOC(=O)c1ccccc1-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12 |(27.2,-19.28,;28.36,-20.3,;28.07,-21.81,;29.23,-22.82,;28.93,-24.33,;30.69,-22.32,;30.68,-20.78,;32.02,-20,;33.36,-20.77,;33.36,-22.31,;32.02,-23.08,;32.02,-24.62,;30.69,-25.39,;29.22,-24.9,;28.3,-26.16,;26.96,-26.93,;25.63,-26.15,;25.65,-24.61,;24.32,-23.83,;22.98,-24.59,;21.65,-23.81,;22.97,-26.14,;24.3,-26.91,;29.21,-27.4,;28.74,-28.87,;30.69,-26.93,;32.02,-27.7,;32.02,-29.24,;33.34,-26.93,;34.68,-27.7,;36.02,-26.93,;36.01,-25.38,;34.68,-24.63,;33.35,-25.39,)| Show InChI InChI=1S/C27H21FN2O4/c1-2-34-27(33)19-7-4-3-6-18(19)22-20-8-5-13-29-24(20)25(31)23-21(22)15-30(26(23)32)14-16-9-11-17(28)12-10-16/h3-13,31H,2,14-15H2,1H3 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cyprus
Curated by ChEMBL
| Assay Description
Inhibition of HIV1 integrase strand transfer activity |
Bioorg Med Chem 17: 4806-18 (2009)
Article DOI: 10.1016/j.bmc.2009.04.058
BindingDB Entry DOI: 10.7270/Q2R49TKS |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50187767
(CHEMBL378395 | ethyl 2-(7-(4-fluorobenzyl)-9-hydro...)Show SMILES CCOC(=O)c1ccccc1-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12 |(27.2,-19.28,;28.36,-20.3,;28.07,-21.81,;29.23,-22.82,;28.93,-24.33,;30.69,-22.32,;30.68,-20.78,;32.02,-20,;33.36,-20.77,;33.36,-22.31,;32.02,-23.08,;32.02,-24.62,;30.69,-25.39,;29.22,-24.9,;28.3,-26.16,;26.96,-26.93,;25.63,-26.15,;25.65,-24.61,;24.32,-23.83,;22.98,-24.59,;21.65,-23.81,;22.97,-26.14,;24.3,-26.91,;29.21,-27.4,;28.74,-28.87,;30.69,-26.93,;32.02,-27.7,;32.02,-29.24,;33.34,-26.93,;34.68,-27.7,;36.02,-26.93,;36.01,-25.38,;34.68,-24.63,;33.35,-25.39,)| Show InChI InChI=1S/C27H21FN2O4/c1-2-34-27(33)19-7-4-3-6-18(19)22-20-8-5-13-29-24(20)25(31)23-21(22)15-30(26(23)32)14-16-9-11-17(28)12-10-16/h3-13,31H,2,14-15H2,1H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Gilead Sciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of strand transfer activity of HIV integrase |
Bioorg Med Chem Lett 16: 3989-92 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8 |
More data for this
Ligand-Target Pair | |
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