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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'gester' and Initial = 'd'   
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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160194
PNG
(3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dihydr...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
Show InChI InChI=1S/C18H14BrN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?
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28n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160192
PNG
(8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-7,8-dihydr...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1sccc1c2=N
Show InChI InChI=1S/C16H12BrN3S/c17-13-4-2-1-3-10(13)9-11-5-7-20-14(18)12-6-8-21-16(12)19-15(11)20/h1-4,6,8-9,18H,5,7H2/b11-9+,18-14?
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28n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160172
PNG
(3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-2,3-dihyd...)
Show SMILES Clc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
Show InChI InChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?
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35n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160173
PNG
(3-[1-(2-Iodo-phenyl)-meth-(E)-ylidene]-2,3-dihydro...)
Show SMILES Ic1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
Show InChI InChI=1S/C18H14IN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?
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76n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160188
PNG
(3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1,2,3,9-te...)
Show SMILES Brc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21|
Show InChI InChI=1S/C18H15BrN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+
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90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160193
PNG
(3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...)
Show SMILES Clc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21|
Show InChI InChI=1S/C18H15ClN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+
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110n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160171
PNG
(3-[1-(2-Chloro-phenyl)-meth-(E)-ylidene]-1-ethyl-1...)
Show SMILES CCC1C\C(=C/c2ccccc2Cl)C2=Nc3ccccc3CN12 |t:14|
Show InChI InChI=1S/C20H19ClN2/c1-2-17-12-16(11-14-7-3-5-9-18(14)21)20-22-19-10-6-4-8-15(19)13-23(17)20/h3-11,17H,2,12-13H2,1H3/b16-11+
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140n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160195
PNG
(3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-butyl-1,...)
Show SMILES CCCCC1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12 |t:16|
Show InChI InChI=1S/C22H23BrN2/c1-2-3-10-19-14-18(13-16-8-4-6-11-20(16)23)22-24-21-12-7-5-9-17(21)15-25(19)22/h4-9,11-13,19H,2-3,10,14-15H2,1H3/b18-13+
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250n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160179
PNG
(8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dimeth...)
Show SMILES Cc1sc2nc3\C(CCn3c(=N)c2c1C)=C\c1ccccc1Br
Show InChI InChI=1S/C18H16BrN3S/c1-10-11(2)23-18-15(10)16(20)22-8-7-13(17(22)21-18)9-12-5-3-4-6-14(12)19/h3-6,9,20H,7-8H2,1-2H3/b13-9+,20-16?
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260n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160167
PNG
(8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dimeth...)
Show SMILES Cc1oc2nc3\C(CCn3c(=N)c2c1C)=C\c1ccccc1Br
Show InChI InChI=1S/C18H16BrN3O/c1-10-11(2)23-18-15(10)16(20)22-8-7-13(17(22)21-18)9-12-5-3-4-6-14(12)19/h3-6,9,20H,7-8H2,1-2H3/b13-9+,20-16?
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270n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160190
PNG
(8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-cyclopro...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1scc(C3CC3)c1c2=N
Show InChI InChI=1S/C19H16BrN3S/c20-15-4-2-1-3-12(15)9-13-7-8-23-17(21)16-14(11-5-6-11)10-24-19(16)22-18(13)23/h1-4,9-11,21H,5-8H2/b13-9+,21-17?
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290n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160170
PNG
(CHEMBL360560 | [3-[1-(2-Bromo-phenyl)-meth-(E)-yli...)
Show SMILES C\N=c1/n2CC\C(=C/c3ccccc3Br)c2nc2ccccc12
Show InChI InChI=1S/C19H16BrN3/c1-21-19-15-7-3-5-9-17(15)22-18-14(10-11-23(18)19)12-13-6-2-4-8-16(13)20/h2-9,12H,10-11H2,1H3/b14-12+,21-19-
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310n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160180
PNG
(1-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3,5,6,7,...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1sc3CCCCc3c1c2=N
Show InChI InChI=1S/C20H18BrN3S/c21-15-7-3-1-5-12(15)11-13-9-10-24-18(22)17-14-6-2-4-8-16(14)25-20(17)23-19(13)24/h1,3,5,7,11,22H,2,4,6,8-10H2/b13-11+,22-18?
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350n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160168
PNG
(3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-2,3-dihydr...)
Show SMILES CCc1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
Show InChI InChI=1S/C20H19N3/c1-2-14-7-3-4-8-15(14)13-16-11-12-23-19(21)17-9-5-6-10-18(17)22-20(16)23/h3-10,13,21H,2,11-12H2,1H3/b16-13+,21-19?
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360n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160187
PNG
(3-[1-(3,4-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...)
Show SMILES Clc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)cc1Cl |t:18|
Show InChI InChI=1S/C18H14Cl2N2/c19-15-6-5-12(10-16(15)20)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+
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720n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160182
PNG
(9-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-8,9-dihydr...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ncccc1c2=N
Show InChI InChI=1S/C17H13BrN4/c18-14-6-2-1-4-11(14)10-12-7-9-22-15(19)13-5-3-8-20-16(13)21-17(12)22/h1-6,8,10,19H,7,9H2/b12-10+,19-15?
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820n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50410084
PNG
(CHEMBL2113024)
Show SMILES Nc1n2CCC(=Cc3ccccc3Br)c2nc2ncnc12 |w:6.6|
Show InChI InChI=1S/C15H12BrN5/c16-11-4-2-1-3-9(11)7-10-5-6-21-13(17)12-14(19-8-18-12)20-15(10)21/h1-4,7-8H,5-6,17H2
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830n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160174
PNG
(3-[1-(2-Chloro-4-fluoro-phenyl)-meth-(E)-ylidene]-...)
Show SMILES Fc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:18|
Show InChI InChI=1S/C18H14ClFN2/c19-16-10-15(20)6-5-12(16)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+
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930n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160191
PNG
(8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-tert-but...)
Show SMILES CC(C)(C)c1csc2nc3\C(CCn3c(=N)c12)=C\c1ccccc1Br
Show InChI InChI=1S/C20H20BrN3S/c1-20(2,3)14-11-25-19-16(14)17(22)24-9-8-13(18(24)23-19)10-12-6-4-5-7-15(12)21/h4-7,10-11,22H,8-9H2,1-3H3/b13-10+,22-17?
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1.20E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160177
PNG
(3-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...)
Show SMILES Fc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:21|
Show InChI InChI=1S/C18H15FN2/c19-16-7-3-1-5-13(16)11-14-9-10-21-12-15-6-2-4-8-17(15)20-18(14)21/h1-8,11H,9-10,12H2/b14-11+
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1.40E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160169
PNG
(3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-1,2,3,9-te...)
Show SMILES CCc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:22|
Show InChI InChI=1S/C20H20N2/c1-2-15-7-3-4-8-16(15)13-17-11-12-22-14-18-9-5-6-10-19(18)21-20(17)22/h3-10,13H,2,11-12,14H2,1H3/b17-13+
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1.40E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160189
PNG
(CHEMBL434151 | {3-Chloro-4-[1,2-dihydro-9H-pyrrolo...)
Show SMILES CN(C)c1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:20|
Show InChI InChI=1S/C20H20ClN3/c1-23(2)17-8-7-14(18(21)12-17)11-15-9-10-24-13-16-5-3-4-6-19(16)22-20(15)24/h3-8,11-12H,9-10,13H2,1-2H3/b15-11+
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1.40E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160184
PNG
(3-[1-(2-Trifluoromethyl-phenyl)-meth-(E)-ylidene]-...)
Show SMILES FC(F)(F)c1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:24|
Show InChI InChI=1S/C19H15F3N2/c20-19(21,22)16-7-3-1-5-13(16)11-14-9-10-24-12-15-6-2-4-8-17(15)23-18(14)24/h1-8,11H,9-10,12H2/b14-11+
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1.60E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160186
PNG
(3-[1-(2,4-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...)
Show SMILES Clc1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1 |t:18|
Show InChI InChI=1S/C18H14Cl2N2/c19-15-6-5-12(16(20)10-15)9-13-7-8-22-11-14-3-1-2-4-17(14)21-18(13)22/h1-6,9-10H,7-8,11H2/b13-9+
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1.70E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160166
PNG
(3-[1-(2,6-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3...)
Show SMILES Clc1cccc(Cl)c1\C=C1/CCN2Cc3ccccc3N=C12 |t:22|
Show InChI InChI=1S/C18H14Cl2N2/c19-15-5-3-6-16(20)14(15)10-12-8-9-22-11-13-4-1-2-7-17(13)21-18(12)22/h1-7,10H,8-9,11H2/b12-10+
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1.80E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160176
PNG
(3-[1-Biphenyl-2-yl-meth-(E)-ylidene]-1,2,3,9-tetra...)
Show SMILES C1C\C(=C/c2ccccc2-c2ccccc2)C2=Nc3ccccc3CN12 |t:18|
Show InChI InChI=1S/C24H20N2/c1-2-8-18(9-3-1)22-12-6-4-10-19(22)16-20-14-15-26-17-21-11-5-7-13-23(21)25-24(20)26/h1-13,16H,14-15,17H2/b20-16+
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2.90E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160178
PNG
(3-[1-(2-Trifluoromethoxy-phenyl)-meth-(E)-ylidene]...)
Show SMILES FC(F)(F)Oc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:25|
Show InChI InChI=1S/C19H15F3N2O/c20-19(21,22)25-17-8-4-2-5-13(17)11-14-9-10-24-12-15-6-1-3-7-16(15)23-18(14)24/h1-8,11H,9-10,12H2/b14-11+
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3.20E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160185
PNG
(3-[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-2,3-dihy...)
Show SMILES COc1ccc(\C=C2/CCn3c2nc2ccccc2c3=N)cc1
Show InChI InChI=1S/C19H17N3O/c1-23-15-8-6-13(7-9-15)12-14-10-11-22-18(20)16-4-2-3-5-17(16)21-19(14)22/h2-9,12,20H,10-11H2,1H3/b14-12+,20-18?
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3.90E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160183
PNG
(3-[1-(2-Ethoxy-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...)
Show SMILES CCOc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12 |t:23|
Show InChI InChI=1S/C20H20N2O/c1-2-23-19-10-6-4-7-15(19)13-16-11-12-22-14-17-8-3-5-9-18(17)21-20(16)22/h3-10,13H,2,11-12,14H2,1H3/b16-13+
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4.50E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160175
PNG
(3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dihydr...)
Show SMILES Brc1ccccc1\C=C1/CCn2c1nc1ccccc1\c2=N\C#N
Show InChI InChI=1S/C19H13BrN4/c20-16-7-3-1-5-13(16)11-14-9-10-24-18(14)23-17-8-4-2-6-15(17)19(24)22-12-21/h1-8,11H,9-10H2/b14-11+,22-19-
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6.10E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50160196
PNG
(3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-(4-fluor...)
Show SMILES Fc1ccc(cc1)C1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12 |t:20|
Show InChI InChI=1S/C24H18BrFN2/c25-21-7-3-1-5-17(21)13-19-14-23(16-9-11-20(26)12-10-16)28-15-18-6-2-4-8-22(18)27-24(19)28/h1-13,23H,14-15H2/b19-13+
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7.90E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane


Bioorg Med Chem Lett 15: 669-73 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.039
BindingDB Entry DOI: 10.7270/Q2NV9HS2
More data for this
Ligand-Target Pair