Found 2 hits for monomerid = 50124968 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) | BDBM50124968
(Acetic acid 6,8,5',6',8'-pentaacetoxy-2,3,2',3'-te...)Show SMILES CC1Oc2cc3c(c(OC(C)=O)cc(OC(C)=O)c3c(OC(C)=O)c2C(=O)C1C)-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c3C(=O)C(C)C(C)Oc3cc12 |(8.26,-9.9,;6.91,-9.15,;5.58,-9.92,;4.25,-9.15,;2.92,-9.94,;1.57,-9.17,;.23,-9.95,;-1.1,-9.18,;-2.43,-9.94,;-3.92,-9.53,;-5.03,-10.62,;-4.32,-8.03,;-1.1,-7.63,;.23,-6.86,;.23,-5.33,;-1.1,-4.56,;-2.43,-5.33,;-1.1,-3.02,;1.57,-7.63,;2.89,-6.84,;2.89,-5.3,;3.29,-3.81,;2.19,-2.71,;4.78,-3.39,;4.23,-7.61,;5.56,-6.84,;5.55,-5.3,;6.91,-7.59,;8.24,-6.8,;.24,-11.48,;-1.1,-12.25,;-2.43,-11.49,;-3.52,-12.58,;-3.13,-14.07,;-5.02,-12.16,;-1.09,-13.79,;.26,-14.56,;.26,-16.08,;-.84,-17.18,;-.46,-18.67,;-2.33,-16.76,;1.59,-13.77,;2.92,-14.54,;2.92,-16.06,;2.92,-17.6,;1.57,-18.37,;4.23,-18.37,;4.21,-13.75,;5.55,-14.52,;5.55,-16.06,;6.88,-13.74,;8.22,-14.5,;6.87,-12.2,;8.19,-11.42,;5.53,-11.44,;4.21,-12.23,;2.89,-11.46,;1.57,-12.23,)| Show InChI InChI=1S/C42H38O16/c1-15-17(3)51-27-11-25-33(29(53-19(5)43)13-31(55-21(7)45)35(25)41(57-23(9)47)37(27)39(15)49)34-26-12-28-38(40(50)16(2)18(4)52-28)42(58-24(10)48)36(26)32(56-22(8)46)14-30(34)54-20(6)44/h11-18H,1-10H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.00E+4 | 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 | |
Integrase
(Human immunodeficiency virus 1) | BDBM50124968
(Acetic acid 6,8,5',6',8'-pentaacetoxy-2,3,2',3'-te...)Show SMILES CC1Oc2cc3c(c(OC(C)=O)cc(OC(C)=O)c3c(OC(C)=O)c2C(=O)C1C)-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c3C(=O)C(C)C(C)Oc3cc12 |(8.26,-9.9,;6.91,-9.15,;5.58,-9.92,;4.25,-9.15,;2.92,-9.94,;1.57,-9.17,;.23,-9.95,;-1.1,-9.18,;-2.43,-9.94,;-3.92,-9.53,;-5.03,-10.62,;-4.32,-8.03,;-1.1,-7.63,;.23,-6.86,;.23,-5.33,;-1.1,-4.56,;-2.43,-5.33,;-1.1,-3.02,;1.57,-7.63,;2.89,-6.84,;2.89,-5.3,;3.29,-3.81,;2.19,-2.71,;4.78,-3.39,;4.23,-7.61,;5.56,-6.84,;5.55,-5.3,;6.91,-7.59,;8.24,-6.8,;.24,-11.48,;-1.1,-12.25,;-2.43,-11.49,;-3.52,-12.58,;-3.13,-14.07,;-5.02,-12.16,;-1.09,-13.79,;.26,-14.56,;.26,-16.08,;-.84,-17.18,;-.46,-18.67,;-2.33,-16.76,;1.59,-13.77,;2.92,-14.54,;2.92,-16.06,;2.92,-17.6,;1.57,-18.37,;4.23,-18.37,;4.21,-13.75,;5.55,-14.52,;5.55,-16.06,;6.88,-13.74,;8.22,-14.5,;6.87,-12.2,;8.19,-11.42,;5.53,-11.44,;4.21,-12.23,;2.89,-11.46,;1.57,-12.23,)| Show InChI InChI=1S/C42H38O16/c1-15-17(3)51-27-11-25-33(29(53-19(5)43)13-31(55-21(7)45)35(25)41(57-23(9)47)37(27)39(15)49)34-26-12-28-38(40(50)16(2)18(4)52-28)42(58-24(10)48)36(26)32(56-22(8)46)14-30(34)54-20(6)44/h11-18H,1-10H3 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 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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