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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'salyanov' and Initial = 'vi'   
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)
BDBM50545166
PNG
(CHEMBL4649461)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCCN3CCN(CCCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C56H72N16O4/c1-69(2)23-9-21-57-55(75)39-15-19-43-47(33-39)67-53(65-43)37-13-17-41-45(31-37)63-49(61-41)35-59-51(73)11-5-7-25-71-27-29-72(30-28-71)26-8-6-12-52(74)60-36-50-62-42-18-14-38(32-46(42)64-50)54-66-44-20-16-40(34-48(44)68-54)56(76)58-22-10-24-70(3)4/h13-20,31-34H,5-12,21-30,35-36H2,1-4H3,(H,57,75)(H,58,76)(H,59,73)(H,60,74)(H,61,63)(H,62,64)(H,65,67)(H,66,68)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545168
PNG
(CHEMBL4647024)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C54H68N16O4/c1-67(2)21-7-19-55-53(73)37-13-17-41-45(31-37)65-51(63-41)35-11-15-39-43(29-35)61-47(59-39)33-57-49(71)9-5-23-69-25-27-70(28-26-69)24-6-10-50(72)58-34-48-60-40-16-12-36(30-44(40)62-48)52-64-42-18-14-38(32-46(42)66-52)54(74)56-20-8-22-68(3)4/h11-18,29-32H,5-10,19-28,33-34H2,1-4H3,(H,55,73)(H,56,74)(H,57,71)(H,58,72)(H,59,61)(H,60,62)(H,63,65)(H,64,66)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545170
PNG
(CHEMBL4640673)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CN3CCN(CC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C50H60N16O4/c1-63(2)17-5-15-51-49(69)33-9-13-37-41(25-33)61-47(59-37)31-7-11-35-39(23-31)57-43(55-35)27-53-45(67)29-65-19-21-66(22-20-65)30-46(68)54-28-44-56-36-12-8-32(24-40(36)58-44)48-60-38-14-10-34(26-42(38)62-48)50(70)52-16-6-18-64(3)4/h7-14,23-26H,5-6,15-22,27-30H2,1-4H3,(H,51,69)(H,52,70)(H,53,67)(H,54,68)(H,55,57)(H,56,58)(H,59,61)(H,60,62)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545167
PNG
(CHEMBL4649072)
Show SMILES CN(C)CCCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)C(=O)NCCCN(C)C)CC3)[nH]c2c1
Show InChI InChI=1S/C52H64N16O4/c1-65(2)19-5-17-53-51(71)35-9-13-39-43(29-35)63-49(61-39)33-7-11-37-41(27-33)59-45(57-37)31-55-47(69)15-21-67-23-25-68(26-24-67)22-16-48(70)56-32-46-58-38-12-8-34(28-42(38)60-46)50-62-40-14-10-36(30-44(40)64-50)52(72)54-18-6-20-66(3)4/h7-14,27-30H,5-6,15-26,31-32H2,1-4H3,(H,53,71)(H,54,72)(H,55,69)(H,56,70)(H,57,59)(H,58,60)(H,61,63)(H,62,64)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545169
PNG
(CHEMBL4649015)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCCN3CCN(CCCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1
Show InChI InChI=1S/C54H68N16O2/c1-65-19-27-69(28-20-65)39-11-15-43-47(33-39)63-53(61-43)37-9-13-41-45(31-37)59-49(57-41)35-55-51(71)7-3-5-17-67-23-25-68(26-24-67)18-6-4-8-52(72)56-36-50-58-42-14-10-38(32-46(42)60-50)54-62-44-16-12-40(34-48(44)64-54)70-29-21-66(2)22-30-70/h9-16,31-34H,3-8,17-30,35-36H2,1-2H3,(H,55,71)(H,56,72)(H,57,59)(H,58,60)(H,61,63)(H,62,64)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545172
PNG
(CHEMBL4644631)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCN3CCN(CCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1
Show InChI InChI=1S/C50H60N16O2/c1-61-15-23-65(24-16-61)35-5-9-39-43(29-35)59-49(57-39)33-3-7-37-41(27-33)55-45(53-37)31-51-47(67)11-13-63-19-21-64(22-20-63)14-12-48(68)52-32-46-54-38-8-4-34(28-42(38)56-46)50-58-40-10-6-36(30-44(40)60-50)66-25-17-62(2)18-26-66/h3-10,27-30H,11-26,31-32H2,1-2H3,(H,51,67)(H,52,68)(H,53,55)(H,54,56)(H,57,59)(H,58,60)
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



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545173
PNG
(CHEMBL4645067)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CCCN3CCN(CCCC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1
Show InChI InChI=1S/C52H64N16O2/c1-63-17-25-67(26-18-63)37-9-13-41-45(31-37)61-51(59-41)35-7-11-39-43(29-35)57-47(55-39)33-53-49(69)5-3-15-65-21-23-66(24-22-65)16-4-6-50(70)54-34-48-56-40-12-8-36(30-44(40)58-48)52-60-42-14-10-38(32-46(42)62-52)68-27-19-64(2)20-28-68/h7-14,29-32H,3-6,15-28,33-34H2,1-2H3,(H,53,69)(H,54,70)(H,55,57)(H,56,58)(H,59,61)(H,60,62)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50545171
PNG
(CHEMBL4633363)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc(CNC(=O)CN3CCN(CC(=O)NCc4nc5ccc(cc5[nH]4)-c4nc5ccc(cc5[nH]4)N4CCN(C)CC4)CC3)[nH]c2c1
Show InChI InChI=1S/C48H56N16O2/c1-59-11-19-63(20-12-59)33-5-9-37-41(25-33)57-47(55-37)31-3-7-35-39(23-31)53-43(51-35)27-49-45(65)29-61-15-17-62(18-16-61)30-46(66)50-28-44-52-36-8-4-32(24-40(36)54-44)48-56-38-10-6-34(26-42(38)58-48)64-21-13-60(2)14-22-64/h3-10,23-26H,11-22,27-30H2,1-2H3,(H,49,65)(H,50,66)(H,51,53)(H,52,54)(H,55,57)(H,56,58)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase expressed in Escherichia coli Rosetta assessed as reduction in 3' end processing activity using [32P]-labell...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115378
BindingDB Entry DOI: 10.7270/Q2125X7T
More data for this
Ligand-Target Pair