BindingDB logo
myBDB logout

PubMed code 31753802

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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)
BDBM50538823
PNG
(CHEMBL4649334)
Show SMILES COc1ccc(-c2cncn2-c2ccc(Br)cc2)c(OC)c1
Show InChI InChI=1S/C17H15BrN2O2/c1-21-14-7-8-15(17(9-14)22-2)16-10-19-11-20(16)13-5-3-12(18)4-6-13/h3-11H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50538821
PNG
(CHEMBL4645491)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cncn1C1CCCCC1
Show InChI InChI=1S/C19H26N2/c1-19(2,3)16-11-9-15(10-12-16)18-13-20-14-21(18)17-7-5-4-6-8-17/h9-14,17H,4-8H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.46E+4n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50538820
PNG
(CHEMBL4638855)
Show SMILES COc1cccc(c1)-c1cncn1C1CCCCC1
Show InChI InChI=1S/C16H20N2O/c1-19-15-9-5-6-13(10-15)16-11-17-12-18(16)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50538819
PNG
(CHEMBL4642650)
Show SMILES CCCCn1cncc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C17H24N2/c1-5-6-11-19-13-18-12-16(19)14-7-9-15(10-8-14)17(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.24E+4n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50538822
PNG
(CHEMBL4633855)
Show SMILES Fc1ccc(cc1)-c1cncn1-c1ccc(Br)cc1
Show InChI InChI=1S/C15H10BrFN2/c16-12-3-7-14(8-4-12)19-10-18-9-15(19)11-1-5-13(17)6-2-11/h1-10H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50538818
PNG
(CHEMBL4639852)
Show SMILES CCCCn1cncc1-c1cccc(OC)c1
Show InChI InChI=1S/C14H18N2O/c1-3-4-8-16-11-15-10-14(16)12-6-5-7-13(9-12)17-2/h5-7,9-11H,3-4,8H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.05E+4n/an/an/an/an/an/a



University of the Witwatersrand

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of interaction of HIV-1 IN with LEDGF/p75 (unknown origin) preincubated with enzyme for 30 mins ...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115210
BindingDB Entry DOI: 10.7270/Q2348PZS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%