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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM28236'   
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)
BDBM28236
PNG
(CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of strand transfer for HIV-1 integrase


Bioorg Med Chem Lett 15: 4550-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.105
BindingDB Entry DOI: 10.7270/Q2BK1BWR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM28236
PNG
(CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase catalyzed strand transfer activity


Bioorg Med Chem Lett 17: 1392-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.080
BindingDB Entry DOI: 10.7270/Q2TM7DWJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM28236
PNG
(CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity using immobilized DNA substrate


Bioorg Med Chem Lett 18: 5307-10 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.038
BindingDB Entry DOI: 10.7270/Q2TH8QG7
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM28236
PNG
(CHEMBL199145 | N-[(4-fluorophenyl)methyl]-8-hydrox...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-5-3-10(4-6-12)8-20-16(22)14-15(21)13-11(9-19-14)2-1-7-18-13/h1-7,9,21H,8H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of strand transfer process of HIV1 integrase


Bioorg Med Chem Lett 16: 2900-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.003
BindingDB Entry DOI: 10.7270/Q2T43SP2
More data for this
Ligand-Target Pair