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BDBM50088355 10-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-1,6,8,11-tetrahydroxy-8-(2-hydroxy-acetyl)-7,8,9,10-tetrahydro-naphthacene-5,12-dione; compound with methane::CHEMBL541123

SMILES: C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)OC1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO

InChI Key: InChIKey=XELCDTXCWBAMFX-OODLTTPBSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088355   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088355
PNG
(10-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-...)
Show SMILES C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)OC1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO
Show InChI InChI=1S/C26H27NO11/c1-9-21(31)12(27)5-16(37-9)38-14-7-26(36,15(30)8-28)6-11-18(14)25(35)20-19(23(11)33)22(32)10-3-2-4-13(29)17(10)24(20)34/h2-4,9,12,14,16,21,28-29,31,33,35-36H,5-8,27H2,1H3/t9-,12-,14?,16-,21+,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088355
PNG
(10-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-...)
Show SMILES C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)OC1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(=O)CO
Show InChI InChI=1S/C26H27NO11/c1-9-21(31)12(27)5-16(37-9)38-14-7-26(36,15(30)8-28)6-11-18(14)25(35)20-19(23(11)33)22(32)10-3-2-4-13(29)17(10)24(20)34/h2-4,9,12,14,16,21,28-29,31,33,35-36H,5-8,27H2,1H3/t9-,12-,14?,16-,21+,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/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