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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'savenkova' and Initial = 'l'   
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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2A receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from adrenergic alpha2C receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50320446
PNG
(CHEMBL1085510 | [N-methyl]5-methyl-3-[4-(3-phenyla...)
Show SMILES CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Show InChI InChI=1S/C25H30N4O/c1-27-18-22-24(30-26-25(22)21-11-5-6-12-23(21)27)19-29-16-14-28(15-17-29)13-7-10-20-8-3-2-4-9-20/h2-12,22,24H,13-19H2,1H3/b10-7+/t22?,24-/m0/s1
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16n/an/an/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5HTT receptor


Bioorg Med Chem Lett 20: 3654-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.099
BindingDB Entry DOI: 10.7270/Q2474B1C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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37n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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59n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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512n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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1.03E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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1.77E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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2.13E+3n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to dopamine 2 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50438565
PNG
(CHEMBL2413153)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Show InChI InChI=1S/C20H28FN5O3/c1-23-19(27)16-22-26(20(23)28)10-5-4-9-24-11-13-25(14-12-24)17-6-2-3-7-18(17)29-15-8-21/h2-3,6-7,16H,4-5,8-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin)


Bioorg Med Chem 21: 5598-604 (2013)


Article DOI: 10.1016/j.bmc.2013.05.050
BindingDB Entry DOI: 10.7270/Q2QZ2CDG
More data for this
Ligand-Target Pair