Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50088359' 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) | BDBM50088359
(3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4...)Show SMILES OC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1 |(5.46,-3.6,;5.46,-2.24,;6.59,-.7,;8.81,-.7,;9.95,-2.24,;9.95,-3.8,;8.81,-3.69,;6.59,-3.69,;6.59,-5.2,;7.98,-5.83,;9.35,-5.13,;7.98,-7.41,;9.28,-8.06,;10.55,-7.19,;10.55,-5.53,;11.74,-4.69,;13.18,-5.43,;14.54,-4.77,;13.18,-7.23,;14.57,-7.85,;11.91,-7.88,;9.95,-.68,;11.38,.16,;8.79,.5,;6.63,.6,;4.99,1.65,;3.59,.89,;4.99,3.31,;3.7,4.06,;2.43,3.26,;2.43,1.78,;1.1,1.09,;-.16,1.85,;-1.52,1.15,;-.16,3.31,;-1.48,4.11,;1.14,4.04,)| Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3-,8-4- | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing |
J Med Chem 43: 2100-14 (2000)
BindingDB Entry DOI: 10.7270/Q27D2VTS |
More data for this Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50088359
(3,5-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-1,4...)Show SMILES OC1C(CC(O)(CC1OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C/c1ccc(O)c(O)c1 |(5.46,-3.6,;5.46,-2.24,;6.59,-.7,;8.81,-.7,;9.95,-2.24,;9.95,-3.8,;8.81,-3.69,;6.59,-3.69,;6.59,-5.2,;7.98,-5.83,;9.35,-5.13,;7.98,-7.41,;9.28,-8.06,;10.55,-7.19,;10.55,-5.53,;11.74,-4.69,;13.18,-5.43,;14.54,-4.77,;13.18,-7.23,;14.57,-7.85,;11.91,-7.88,;9.95,-.68,;11.38,.16,;8.79,.5,;6.63,.6,;4.99,1.65,;3.59,.89,;4.99,3.31,;3.7,4.06,;2.43,3.26,;2.43,1.78,;1.1,1.09,;-.16,1.85,;-1.52,1.15,;-.16,3.31,;-1.48,4.11,;1.14,4.04,)| Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3-,8-4- | PDB MMDB
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer |
J Med Chem 43: 2100-14 (2000)
BindingDB Entry DOI: 10.7270/Q27D2VTS |
More data for this Ligand-Target Pair | |