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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 integrase' and Ligand = 'BDBM50088353'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088353
PNG
(5-(3,4-Dihydroxy-phenyl)-3-hydroxy-pentanoic acid ...)
Show SMILES OC(CCc1ccc(O)c(O)c1)CC(=O)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H26O10/c27-16(4-1-13-2-5-17(28)19(30)7-13)11-25(34)35-24-10-15-9-21(32)22(33)12-23(15)36-26(24)14-3-6-18(29)20(31)8-14/h2-3,5-9,12,16,24,26-33H,1,4,10-11H2/t16?,24-,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088353
PNG
(5-(3,4-Dihydroxy-phenyl)-3-hydroxy-pentanoic acid ...)
Show SMILES OC(CCc1ccc(O)c(O)c1)CC(=O)O[C@H]1Cc2cc(O)c(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C26H26O10/c27-16(4-1-13-2-5-17(28)19(30)7-13)11-25(34)35-24-10-15-9-21(32)22(33)12-23(15)36-26(24)14-3-6-18(29)20(31)8-14/h2-3,5-9,12,16,24,26-33H,1,4,10-11H2/t16?,24-,26-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40E+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