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54 similar compounds to monomer 50349676

Compile data set for download or QSAR
Wt: 428.5
BDBM50299165
Wt: 442.5
BDBM50299167
Wt: 442.5
BDBM50299171
Wt: 518.6
BDBM50299172
Wt: 442.5
BDBM50299173
Wt: 442.5
BDBM50299174
Wt: 442.5
BDBM50299175
Wt: 429.5
BDBM50299177
Wt: 429.5
BDBM50299178
Wt: 428.5
BDBM50299181
Wt: 372.4
BDBM50349636
Wt: 472.5
BDBM50349653
Wt: 442.5
BDBM50349654
Wt: 444.5
BDBM50349655
Wt: 442.5
BDBM50349680
Displayed 1 to 15 (of 54 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 50299165,50299167,50299171,50299172,50299173,50299174,50299175,50299177,50299178,50299181,50349636,50349653,50349654,50349655,50349680   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 5.76E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of adrenergic beta1 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349680
PNG
(CHEMBL1809013)
Show SMILES O[C@@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19-,23-/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of adrenergic alpha2A receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of dopamine D1 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 9.58E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 2.47E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT2B receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced cell migration by flow cytometry


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299167
PNG
((6aR,9R)-N9,N9-diethyl-N7-methyl-N7-phenyl-6,6a,8,...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29(3)20-10-7-6-8-11-20/h6-14,16,19,24,28H,4-5,15,17H2,1-3H3/t19-,24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299171
PNG
((6aR,9R)-N9,N9-diethyl-4-methyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(C)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-29(23)3)15-24(22)31(17-19)27(33)28-20-10-7-6-8-11-20/h6-14,16,19,24H,4-5,15,17H2,1-3H3,(H,28,33)/t19-,24-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299172
PNG
((6aR,9R)-4-benzyl-N9,N9-diethyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(Cc4ccccc4)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H34N4O2/c1-3-35(4-2)32(38)25-18-28-27-16-11-17-29-31(27)24(21-36(29)20-23-12-7-5-8-13-23)19-30(28)37(22-25)33(39)34-26-14-9-6-10-15-26/h5-18,21,25,30H,3-4,19-20,22H2,1-2H3,(H,34,39)/t25-,30-/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299173
PNG
((6aR,9R)-N9,N9-diethyl-N7-o-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-21-20-10-8-12-23-25(20)18(15-28-23)14-24(21)31(16-19)27(33)29-22-11-7-6-9-17(22)3/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299174
PNG
((6aR,9R)-N9,N9-diethyl-N7-m-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-22-21-10-7-11-23-25(21)18(15-28-23)14-24(22)31(16-19)27(33)29-20-9-6-8-17(3)12-20/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299175
PNG
((6aR,9R)-N9,N9-diethyl-N7-p-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-22-21-7-6-8-23-25(21)18(15-28-23)14-24(22)31(16-19)27(33)29-20-11-9-17(3)10-12-20/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299177
PNG
((6aR,9R)-N9,N9-diethyl-N7-(pyridin-3-yl)-6,6a,8,9-...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cccnc1
Show InChI InChI=1S/C25H27N5O2/c1-3-29(4-2)24(31)17-11-20-19-8-5-9-21-23(19)16(13-27-21)12-22(20)30(15-17)25(32)28-18-7-6-10-26-14-18/h5-11,13-14,17,22,27H,3-4,12,15H2,1-2H3,(H,28,32)/t17-,22-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299178
PNG
((6aR,9R)-N9,N9-diethyl-N7-(pyridin-4-yl)-6,6a,8,9-...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccncc1
Show InChI InChI=1S/C25H27N5O2/c1-3-29(4-2)24(31)17-12-20-19-6-5-7-21-23(19)16(14-27-21)13-22(20)30(15-17)25(32)28-18-8-10-26-11-9-18/h5-12,14,17,22,27H,3-4,13,15H2,1-2H3,(H,26,28,32)/t17-,22-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in L1.2 cells assessed as inhibition of I-TAC-induced Ca2+ mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 3


(Mus musculus)
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from mouse CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299167
PNG
((6aR,9R)-N9,N9-diethyl-N7-methyl-N7-phenyl-6,6a,8,...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-28-23)15-24(22)31(17-19)27(33)29(3)20-10-7-6-8-11-20/h6-14,16,19,24,28H,4-5,15,17H2,1-3H3/t19-,24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299181
PNG
((6aR,9S)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299171
PNG
((6aR,9R)-N9,N9-diethyl-4-methyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(C)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-14-22-21-12-9-13-23-25(21)18(16-29(23)3)15-24(22)31(17-19)27(33)28-20-10-7-6-8-11-20/h6-14,16,19,24H,4-5,15,17H2,1-3H3,(H,28,33)/t19-,24-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299172
PNG
((6aR,9R)-4-benzyl-N9,N9-diethyl-N7-phenyl-6,6a,8,9...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3cn(Cc4ccccc4)c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C33H34N4O2/c1-3-35(4-2)32(38)25-18-28-27-16-11-17-29-31(27)24(21-36(29)20-23-12-7-5-8-13-23)19-30(28)37(22-25)33(39)34-26-14-9-6-10-15-26/h5-18,21,25,30H,3-4,19-20,22H2,1-2H3,(H,34,39)/t25-,30-/m1/s1
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n/an/a 590n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299173
PNG
((6aR,9R)-N9,N9-diethyl-N7-o-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-21-20-10-8-12-23-25(20)18(15-28-23)14-24(21)31(16-19)27(33)29-22-11-7-6-9-17(22)3/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299174
PNG
((6aR,9R)-N9,N9-diethyl-N7-m-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-22-21-10-7-11-23-25(21)18(15-28-23)14-24(22)31(16-19)27(33)29-20-9-6-8-17(3)12-20/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 231n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299175
PNG
((6aR,9R)-N9,N9-diethyl-N7-p-tolyl-6,6a,8,9-tetrahy...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C27H30N4O2/c1-4-30(5-2)26(32)19-13-22-21-7-6-8-23-25(21)18(15-28-23)14-24(22)31(16-19)27(33)29-20-11-9-17(3)10-12-20/h6-13,15,19,24,28H,4-5,14,16H2,1-3H3,(H,29,33)/t19-,24-/m1/s1
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n/an/a 313n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299177
PNG
((6aR,9R)-N9,N9-diethyl-N7-(pyridin-3-yl)-6,6a,8,9-...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cccnc1
Show InChI InChI=1S/C25H27N5O2/c1-3-29(4-2)24(31)17-11-20-19-8-5-9-21-23(19)16(13-27-21)12-22(20)30(15-17)25(32)28-18-7-6-10-26-14-18/h5-11,13-14,17,22,27H,3-4,12,15H2,1-2H3,(H,28,32)/t17-,22-/m1/s1
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n/an/a 285n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299178
PNG
((6aR,9R)-N9,N9-diethyl-N7-(pyridin-4-yl)-6,6a,8,9-...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccncc1
Show InChI InChI=1S/C25H27N5O2/c1-3-29(4-2)24(31)17-12-20-19-6-5-7-21-23(19)16(14-27-21)13-22(20)30(15-17)25(32)28-18-8-10-26-11-9-18/h5-12,14,17,22,27H,3-4,13,15H2,1-2H3,(H,26,28,32)/t17-,22-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]I-TAC from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 19: 6185-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.002
BindingDB Entry DOI: 10.7270/Q2VX0GJN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349636
PNG
(CHEMBL1808994)
Show SMILES NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H20N4O2/c23-21(27)14-9-17-16-7-4-8-18-20(16)13(11-24-18)10-19(17)26(12-14)22(28)25-15-5-2-1-3-6-15/h1-9,11,14,19,24H,10,12H2,(H2,23,27)(H,25,28)/t14-,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349653
PNG
(CHEMBL1809012)
Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349654
PNG
(CHEMBL1809014)
Show SMILES O[C@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19+,23-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349655
PNG
(CHEMBL1809015)
Show SMILES Fc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H25FN4O2/c27-20-7-1-2-8-21(20)29-26(33)31-15-17(25(32)30-10-3-4-11-30)12-19-18-6-5-9-22-24(18)16(14-28-22)13-23(19)31/h1-2,5-9,12,14,17,23,28H,3-4,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of radiolabeled CXCL11 from human CXCR3 expressed in CHO cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50299165
PNG
((6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahyd...)
Show SMILES CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H28N4O2/c1-3-29(4-2)25(31)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3,(H,28,32)/t18-,23-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349653
PNG
(CHEMBL1809012)
Show SMILES O[C@@H]1CCN(C[C@@H]1O)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C27H28N4O4/c32-23-9-10-30(15-24(23)33)26(34)17-11-20-19-7-4-8-21-25(19)16(13-28-21)12-22(20)31(14-17)27(35)29-18-5-2-1-3-6-18/h1-8,11,13,17,22-24,28,32-33H,9-10,12,14-15H2,(H,29,35)/t17-,22-,23-,24+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349680
PNG
(CHEMBL1809013)
Show SMILES O[C@@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19-,23-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349654
PNG
(CHEMBL1809014)
Show SMILES O[C@H]1CCN(C1)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H26N4O3/c31-19-9-10-29(15-19)25(32)17-11-21-20-7-4-8-22-24(20)16(13-27-22)12-23(21)30(14-17)26(33)28-18-5-2-1-3-6-18/h1-8,11,13,17,19,23,27,31H,9-10,12,14-15H2,(H,28,33)/t17-,19+,23-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50349655
PNG
(CHEMBL1809015)
Show SMILES Fc1ccccc1NC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
Show InChI InChI=1S/C26H25FN4O2/c27-20-7-1-2-8-21(20)29-26(33)31-15-17(25(32)30-10-3-4-11-30)12-19-18-6-5-9-22-24(18)16(14-28-22)13-23(19)31/h1-2,5-9,12,14,17,23,28H,3-4,10-11,13,15H2,(H,29,33)/t17-,23-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 4745-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.070
BindingDB Entry DOI: 10.7270/Q2VM4CN5
More data for this
Ligand-Target Pair
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