BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50056919'   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1


J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2


J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1


J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.24E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2


J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50056919
PNG
(3-hydroxy-4-(methoxycarbonyl)-2,5-dimethylphenyl 3...)
Show SMILES COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O
Show InChI InChI=1S/C19H18O8/c1-8-5-12(21)11(7-20)17(23)15(8)19(25)27-13-6-9(2)14(18(24)26-4)16(22)10(13)3/h5-7,21-23H,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.28E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against disintegration (reversal of strand transfer)of HIV-1 integrase


J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair