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11 similar compounds to monomer 94646

Compile data set for download or QSAR
Wt: 334.2
BDBM73956
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Wt: 344.2
BDBM84297
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Wt: 299.7
BDBM94647
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Wt: 348.2
BDBM94648
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Wt: 327.8
BDBM94737
Wt: 362.2
BDBM94743
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Wt: 265.3
BDBM114770
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Wt: 313.7
BDBM50375133
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Wt: 299.7
BDBM50371843
Wt: 299.7
BDBM50371844
Wt: 291.3
BDBM50419463
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 73956,84297,94647,94648,94737,94743,114770,50375133,50371843,50371844,50419463   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50419463
PNG
(CHEMBL1617548)
Show SMILES C=CCn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Show InChI InChI=1S/C18H17N3O/c1-2-12-20-15-10-6-7-11-16(15)21(18(20)19)13-17(22)14-8-4-3-5-9-14/h2-11,19H,1,12-13H2
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1.07E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting


J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50375133
PNG
(CHEMBL440586 | cid_703050)
Show SMILES CCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C17H16ClN3O/c1-2-20-14-5-3-4-6-15(14)21(17(20)19)11-16(22)12-7-9-13(18)10-8-12/h3-10,19H,2,11H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/an/an/a 3.09E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2833QM1
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM94648
PNG
(1-(3,4-dichlorophenyl)-2-(3-ethyl-2-imino-1-benzim...)
Show SMILES CCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C17H15Cl2N3O/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11/h3-9,20H,2,10H2,1H3
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n/an/an/an/a 2.52E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2833QM1
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM73956
PNG
(1-(3,4-dichlorophenyl)-2-(2-imino-3-methyl-1-benzi...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C16H13Cl2N3O/c1-20-13-4-2-3-5-14(13)21(16(20)19)9-15(22)10-6-7-11(17)12(18)8-10/h2-8,19H,9H2,1H3
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n/an/an/an/a 2.60E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2833QM1
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM84297
PNG
(1-(4-bromophenyl)-2-(2-imino-3-methyl-1-benzimidaz...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=N
Show InChI InChI=1S/C16H14BrN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/an/an/a 4.27E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM94737
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-propyl-1-benzimida...)
Show SMILES CCCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C18H18ClN3O/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13/h3-10,20H,2,11-12H2,1H3
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n/an/an/an/a 3.36E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM94743
PNG
(1-(3,4-dichlorophenyl)-2-(2-imino-3-propyl-1-benzi...)
Show SMILES CCCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h3-8,10,21H,2,9,11H2,1H3
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n/an/an/an/a 3.12E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM94648
PNG
(1-(3,4-dichlorophenyl)-2-(3-ethyl-2-imino-1-benzim...)
Show SMILES CCn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C17H15Cl2N3O/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11/h3-9,20H,2,10H2,1H3
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n/an/an/an/a 3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM114770
PNG
(2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Show InChI InChI=1S/C16H15N3O/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM84297
PNG
(1-(4-bromophenyl)-2-(2-imino-3-methyl-1-benzimidaz...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=N
Show InChI InChI=1S/C16H14BrN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM114770
PNG
(2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Show InChI InChI=1S/C16H15N3O/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12/h2-10,17H,11H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM84297
PNG
(1-(4-bromophenyl)-2-(2-imino-3-methyl-1-benzimidaz...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=N
Show InChI InChI=1S/C16H14BrN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/an/an/a 6.75E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371843
PNG
(CHEMBL404373)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccccc2Cl)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-8-4-5-9-14(13)20(16(19)18)10-15(21)11-6-2-3-7-12(11)17/h2-9,18H,10H2,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50371844
PNG
(CHEMBL256660)
Show SMILES Cn1c2ccccc2n(CC(=O)c2cccc(Cl)c2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-7-2-3-8-14(13)20(16(19)18)10-15(21)11-5-4-6-12(17)9-11/h2-9,18H,10H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM84297
PNG
(1-(4-bromophenyl)-2-(2-imino-3-methyl-1-benzimidaz...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Br)cc2)c1=N
Show InChI InChI=1S/C16H14BrN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cells by FLIPR-based calcium mobilization assay


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM73956
PNG
(1-(3,4-dichlorophenyl)-2-(2-imino-3-methyl-1-benzi...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C16H13Cl2N3O/c1-20-13-4-2-3-5-14(13)21(16(20)19)9-15(22)10-6-7-11(17)12(18)8-10/h2-8,19H,9H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells


Bioorg Med Chem Lett 18: 1573-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.074
BindingDB Entry DOI: 10.7270/Q2QZ2BTF
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94737
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-propyl-1-benzimida...)
Show SMILES CCCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C18H18ClN3O/c1-2-11-21-15-5-3-4-6-16(15)22(18(21)20)12-17(23)13-7-9-14(19)10-8-13/h3-10,20H,2,11-12H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50375133
PNG
(CHEMBL440586 | cid_703050)
Show SMILES CCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C17H16ClN3O/c1-2-20-14-5-3-4-6-15(14)21(17(20)19)11-16(22)12-7-9-13(18)10-8-12/h3-10,19H,2,11H2,1H3
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM94647
PNG
(1-(4-chlorophenyl)-2-(2-imino-3-methyl-1-benzimida...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C16H14ClN3O/c1-19-13-4-2-3-5-14(13)20(16(19)18)10-15(21)11-6-8-12(17)9-7-11/h2-9,18H,10H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM73956
PNG
(1-(3,4-dichlorophenyl)-2-(2-imino-3-methyl-1-benzi...)
Show SMILES Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
Show InChI InChI=1S/C16H13Cl2N3O/c1-20-13-4-2-3-5-14(13)21(16(20)19)9-15(22)10-6-7-11(17)12(18)8-10/h2-8,19H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
LARGE


(Homo sapiens (Human))
BDBM50375133
PNG
(CHEMBL440586 | cid_703050)
Show SMILES CCn1c2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C17H16ClN3O/c1-2-20-14-5-3-4-6-15(14)21(17(20)19)11-16(22)12-7-9-13(18)10-8-12/h3-10,19H,2,11H2,1H3
KEGG

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n/an/an/an/a 2.66E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2833QM1
More data for this
Ligand-Target Pair