Found 2 hits for monomerid = 50124964 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) | BDBM50124964
(6,8'-Dihydroxy-5,8,5',6'-tetramethoxy-2,3,2',3'-te...)Show SMILES COc1cc(O)c2c(OC)c3C(=O)C(C)C(C)Oc3cc2c1-c1c(O)cc(OC)c2c(OC)c3C(=O)C(C)C(C)Oc3cc12 |(-4.08,-12.58,;-2.99,-11.49,;-1.66,-12.26,;-1.65,-13.8,;-.32,-14.57,;-.3,-16.08,;1.01,-13.77,;2.34,-14.54,;2.36,-16.06,;1.26,-17.16,;3.66,-13.75,;4.99,-14.52,;4.98,-16.06,;6.31,-13.75,;7.66,-14.5,;6.31,-12.21,;7.63,-11.42,;4.97,-11.44,;3.65,-12.23,;2.32,-11.46,;1.01,-12.23,;-.32,-11.49,;-.33,-9.95,;-1.66,-9.18,;-3,-9.95,;-1.66,-7.64,;-.33,-6.87,;-.33,-5.33,;-1.66,-4.56,;1.01,-7.64,;2.33,-6.84,;2.33,-5.3,;1.24,-4.21,;3.67,-7.61,;5,-6.84,;4.99,-5.3,;6.33,-7.59,;7.66,-6.8,;6.35,-9.15,;7.7,-9.9,;5.02,-9.92,;3.67,-9.15,;2.34,-9.95,;1.01,-9.18,)| Show InChI InChI=1S/C34H34O10/c1-13-15(3)44-24-10-18-26(33(41-7)29(24)31(13)37)20(36)12-21(39-5)27(18)25-17-9-23-30(32(38)14(2)16(4)43-23)34(42-8)28(17)22(40-6)11-19(25)35/h9-16,35-36H,1-8H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 integrase in strand transfer assay |
Bioorg Med Chem Lett 13: 713-7 (2003)
BindingDB Entry DOI: 10.7270/Q22R3R1H |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50124964
(6,8'-Dihydroxy-5,8,5',6'-tetramethoxy-2,3,2',3'-te...)Show SMILES COc1cc(O)c2c(OC)c3C(=O)C(C)C(C)Oc3cc2c1-c1c(O)cc(OC)c2c(OC)c3C(=O)C(C)C(C)Oc3cc12 |(-4.08,-12.58,;-2.99,-11.49,;-1.66,-12.26,;-1.65,-13.8,;-.32,-14.57,;-.3,-16.08,;1.01,-13.77,;2.34,-14.54,;2.36,-16.06,;1.26,-17.16,;3.66,-13.75,;4.99,-14.52,;4.98,-16.06,;6.31,-13.75,;7.66,-14.5,;6.31,-12.21,;7.63,-11.42,;4.97,-11.44,;3.65,-12.23,;2.32,-11.46,;1.01,-12.23,;-.32,-11.49,;-.33,-9.95,;-1.66,-9.18,;-3,-9.95,;-1.66,-7.64,;-.33,-6.87,;-.33,-5.33,;-1.66,-4.56,;1.01,-7.64,;2.33,-6.84,;2.33,-5.3,;1.24,-4.21,;3.67,-7.61,;5,-6.84,;4.99,-5.3,;6.33,-7.59,;7.66,-6.8,;6.35,-9.15,;7.7,-9.9,;5.02,-9.92,;3.67,-9.15,;2.34,-9.95,;1.01,-9.18,)| Show InChI InChI=1S/C34H34O10/c1-13-15(3)44-24-10-18-26(33(41-7)29(24)31(13)37)20(36)12-21(39-5)27(18)25-17-9-23-30(32(38)14(2)16(4)43-23)34(42-8)28(17)22(40-6)11-19(25)35/h9-16,35-36H,1-8H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 integrase in coupled transfer assay |
Bioorg Med Chem Lett 13: 713-7 (2003)
BindingDB Entry DOI: 10.7270/Q22R3R1H |
More data for this
Ligand-Target Pair | |
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