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Compile Data Set for Download or QSAR

Found 34 hits from Boehringer Ingelheim Pharma GmbH and Co. KG   
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
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
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
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
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
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
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
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
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))
BDBM50160189
PNG
(CHEMBL434151 | {3-Chloro-4-[1,2-dihydro-9H-pyrrolo...)
Show SMILES CN(C)c1ccc(\C=C2/CCN3Cc4ccccc4N=C23)c(Cl)c1
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))
BDBM50160169
PNG
(3-[1-(2-Ethyl-phenyl)-meth-(E)-ylidene]-1,2,3,9-te...)
Show SMILES CCc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12
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))
BDBM50160177
PNG
(3-[1-(2-Fluoro-phenyl)-meth-(E)-ylidene]-1,2,3,9-t...)
Show SMILES Fc1ccccc1\C=C1/CCN2Cc3ccccc3N=C12
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))
BDBM50160184
PNG
(3-[1-(2-Trifluoromethyl-phenyl)-meth-(E)-ylidene]-...)
Show SMILES FC(F)(F)c1ccccc1\C=C1/CCN2Cc3ccccc3N=C12
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
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
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
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
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
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
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
Glucagon receptor


(Homo sapiens (Human))
BDBM50269746
PNG
(CHEMBL524883 | methyl (1S,5S,11S,17S,20S,23S,29S,3...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@@H]3CCCN3C1=O)[C@@H](C)O)C(=O)OC)NC(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O
Show InChI InChI=1S/C96H127N23O24S2/c1-8-49(4)79-94(140)118-31-15-25-70(118)88(134)103-44-76(124)105-62(35-53-40-99-59-23-13-10-20-56(53)59)85(131)108-64(37-74(97)122)86(132)115-80(51(6)121)95(141)119-32-18-28-73(119)90(136)111-63(36-54-41-100-60-24-14-11-21-57(54)60)84(130)104-50(5)81(127)113-69(96(142)143-7)47-145-144-46-68-93(139)117-30-17-27-72(117)91(137)112-67(45-120)87(133)109-65(38-75(123)114-79)83(129)102-42-77(125)106-66(33-48(2)3)92(138)116-29-16-26-71(116)89(135)110-61(82(128)101-43-78(126)107-68)34-52-39-98-58-22-12-9-19-55(52)58/h9-14,19-24,39-41,48-51,61-73,79-80,98-100,120-121H,8,15-18,25-38,42-47H2,1-7H3,(H2,97,122)(H,101,128)(H,102,129)(H,103,134)(H,104,130)(H,105,124)(H,106,125)(H,107,126)(H,108,131)(H,109,133)(H,110,135)(H,111,136)(H,112,137)(H,113,127)(H,114,123)(H,115,132)/t49-,50-,51+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-,80-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor expressed in BHK21 cells assessed as inhibition of glucagon-induced cAMP elevation by RIA


J Nat Prod 67: 1528-31 (2004)


Article DOI: 10.1021/np040093o
BindingDB Entry DOI: 10.7270/Q2P84BNR
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50269738
PNG
(BI-32169 | CHEMBL526383)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@@H]3CCCN3C1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O
Show InChI InChI=1S/C95H125N23O24S2/c1-7-48(4)78-93(139)117-30-14-24-69(117)87(133)102-43-75(123)104-61(34-52-39-98-58-22-12-9-19-55(52)58)84(130)107-63(36-73(96)121)85(131)114-79(50(6)120)94(140)118-31-17-27-72(118)89(135)110-62(35-53-40-99-59-23-13-10-20-56(53)59)83(129)103-49(5)80(126)112-68(95(141)142)46-144-143-45-67-92(138)116-29-16-26-71(116)90(136)111-66(44-119)86(132)108-64(37-74(122)113-78)82(128)101-41-76(124)105-65(32-47(2)3)91(137)115-28-15-25-70(115)88(134)109-60(81(127)100-42-77(125)106-67)33-51-38-97-57-21-11-8-18-54(51)57/h8-13,18-23,38-40,47-50,60-72,78-79,97-99,119-120H,7,14-17,24-37,41-46H2,1-6H3,(H2,96,121)(H,100,127)(H,101,128)(H,102,133)(H,103,129)(H,104,123)(H,105,124)(H,106,125)(H,107,130)(H,108,132)(H,109,134)(H,110,135)(H,111,136)(H,112,126)(H,113,122)(H,114,131)(H,141,142)/t48-,49-,50+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,78-,79-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor expressed in BHK21 cells assessed as inhibition of glucagon-induced cAMP elevation by RIA


J Nat Prod 67: 1528-31 (2004)


Article DOI: 10.1021/np040093o
BindingDB Entry DOI: 10.7270/Q2P84BNR
More data for this
Ligand-Target Pair
Glucagon receptor


(Homo sapiens (Human))
BDBM50269745
PNG
(CHEMBL463175 | Cephalochromin | cid_160115)
Show SMILES CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12
Show InChI InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH and Co. KG

Curated by ChEMBL


Assay Description
Antagonist activity at human glucagon receptor expressed in BHK21 cells assessed as inhibition of glucagon-induced cAMP elevation by RIA


J Nat Prod 67: 1528-31 (2004)


Article DOI: 10.1021/np040093o
BindingDB Entry DOI: 10.7270/Q2P84BNR
More data for this
Ligand-Target Pair