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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'funk' and Initial = 'tw'   
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)
BDBM50171810
PNG
(5-(1,3-Dimethyl-2,6-dioxo-hexahydro-pyrimidin-4-yl...)
Show SMILES CN1C(CC(=O)N(C)C1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
Show InChI InChI=1S/C22H20FN5O4/c1-27-15(10-16(29)28(2)22(27)32)17-14-4-3-9-24-18(14)20(30)19(26-17)21(31)25-11-12-5-7-13(23)8-6-12/h3-9,15,30H,10-11H2,1-2H3,(H,25,31)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 8.70n/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)
BDBM50171809
PNG
(5-(2,6-Dioxo-hexahydro-pyrimidin-4-yl)-8-hydroxy-[...)
Show SMILES Oc1c(nc(C2CC(=O)NC(=O)N2)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O4/c21-11-5-3-10(4-6-11)9-23-19(29)17-18(28)16-12(2-1-7-22-16)15(26-17)13-8-14(27)25-20(30)24-13/h1-7,13,28H,8-9H2,(H,23,29)(H2,24,25,27,30)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 11n/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)
BDBM50171811
PNG
(8-Hydroxy-5-(1-methyl-2,6-dioxo-hexahydro-pyrimidi...)
Show SMILES CN1C(=O)CC(NC1=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12
Show InChI InChI=1S/C21H18FN5O4/c1-27-15(28)9-14(25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,31)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 13n/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)
BDBM50171812
PNG
(8-Hydroxy-5-(3-methyl-2,6-dioxo-hexahydro-pyrimidi...)
Show SMILES CN1C(CC(=O)N=C1O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 |c:6|
Show InChI InChI=1S/C21H18FN5O4/c1-27-14(9-15(28)25-21(27)31)16-13-3-2-8-23-17(13)19(29)18(26-16)20(30)24-10-11-4-6-12(22)7-5-11/h2-8,14,29H,9-10H2,1H3,(H,24,30)(H,25,28,31)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 13n/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
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