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Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50015834   
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


(Macaca mulatta)
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against monkey CC chemokine receptor 3


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161419
PNG
(CHEMBL178818 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(12-8-21(27)15-19-4-6-24(29)25(30)16-19)23-9-13-32(14-10-23)28(34)22-5-7-26-20(17-22)3-2-11-31-26/h2-7,11,16-17,21,23,27H,8-10,12-15,18H2,1H3/t21-,27-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161419
PNG
(CHEMBL178818 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(12-8-21(27)15-19-4-6-24(29)25(30)16-19)23-9-13-32(14-10-23)28(34)22-5-7-26-20(17-22)3-2-11-31-26/h2-7,11,16-17,21,23,27H,8-10,12-15,18H2,1H3/t21-,27-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161415
PNG
(CHEMBL181460 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES C[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O/c1-19-18-33(12-8-21(19)15-20-4-6-25(29)26(30)16-20)24-9-13-32(14-10-24)28(34)23-5-7-27-22(17-23)3-2-11-31-27/h2-7,11,16-17,19,21,24H,8-10,12-15,18H2,1H3/t19-,21-/m1/s1
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14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161415
PNG
(CHEMBL181460 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES C[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O/c1-19-18-33(12-8-21(19)15-20-4-6-25(29)26(30)16-20)24-9-13-32(14-10-24)28(34)23-5-7-27-22(17-23)3-2-11-31-27/h2-7,11,16-17,19,21,24H,8-10,12-15,18H2,1H3/t19-,21-/m1/s1
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14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161432
PNG
(CHEMBL181273 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2cccnc2n1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-25-17-33(12-8-20(25)15-18-4-6-22(28)23(29)16-18)21-9-13-32(14-10-21)27(34)24-7-5-19-3-2-11-30-26(19)31-24/h2-7,11,16,20-21,25H,8-10,12-15,17H2,1H3/t20-,25-/m1/s1
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15n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161420
PNG
(CHEMBL362040 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1cccc2cccnc12
Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-26-18-33(13-9-21(26)16-19-7-8-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)23-6-2-4-20-5-3-12-31-27(20)23/h2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3/t21-,26-/m1/s1
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18n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161439
PNG
(CHEMBL181034 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1nccc2ccccc12
Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-26-18-33(13-9-21(26)16-19-6-7-24(29)25(30)17-19)22-10-14-32(15-11-22)28(34)27-23-5-3-2-4-20(23)8-12-31-27/h2-8,12,17,21-22,26H,9-11,13-16,18H2,1H3/t21-,26-/m1/s1
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20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161430
PNG
(CHEMBL178887 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES Clc1ccc(C[C@H]2CCN(C[C@H]2C=C)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl
Show InChI InChI=1S/C29H31Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h2-8,12,17-18,21-22,25H,1,9-11,13-16,19H2/t21-,22-/m1/s1
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23n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161418
PNG
(CHEMBL180621 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(13-9-20(27)16-19-6-7-24(29)25(30)17-19)21-10-14-32(15-11-21)28(34)23-8-12-31-26-5-3-2-4-22(23)26/h2-8,12,17,20-21,27H,9-11,13-16,18H2,1H3/t20-,27-/m1/s1
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26n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161423
PNG
(CHEMBL178136 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H33Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h3-8,12,17-18,21-22,25H,2,9-11,13-16,19H2,1H3/t21-,22-/m1/s1
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29n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161421
PNG
(CHEMBL362649 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ncccc3c2)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-5-3-20(17-25(24)29)16-19-7-12-31(13-8-19)23-9-14-32(15-10-23)27(33)22-4-6-26-21(18-22)2-1-11-30-26/h1-6,11,17-19,23H,7-10,12-16H2
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30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161422
PNG
(CHEMBL181379 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CCO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H33Cl2N3O2/c1-2-36-28-19-34(13-9-22(28)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)29(35)23-6-8-27-21(18-23)4-3-12-32-27/h3-8,12,17-18,22,24,28H,2,9-11,13-16,19H2,1H3/t22-,28-/m1/s1
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33n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161424
PNG
(CHEMBL181137 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-8-19(26)14-18-6-7-21(28)22(29)15-18)20-9-12-32(13-10-20)27(34)25-16-30-23-4-2-3-5-24(23)31-25/h2-7,15-16,19-20,26H,8-14,17H2,1H3/t19-,26-/m1/s1
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34n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161429
PNG
(CHEMBL179490 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2cnccc2n1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-7-19(26)14-18-2-4-22(28)23(29)15-18)21-8-12-32(13-9-21)27(34)25-5-3-20-16-30-10-6-24(20)31-25/h2-6,10,15-16,19,21,26H,7-9,11-14,17H2,1H3/t19-,26-/m1/s1
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35n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161443
PNG
(CHEMBL180813 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-6-5-20(18-25(24)29)17-19-8-13-31(14-9-19)21-10-15-32(16-11-21)27(33)23-7-12-30-26-4-2-1-3-22(23)26/h1-7,12,18-19,21H,8-11,13-17H2
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38n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161449
PNG
(1-[4-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3
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40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161425
PNG
(CHEMBL178422 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES FC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H30Cl2FN3O/c29-25-5-3-19(15-26(25)30)14-20-7-11-34(18-23(20)17-31)24-8-12-33(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-32-27/h1-6,10,15-16,20,23-24H,7-9,11-14,17-18H2/t20-,23-/m1/s1
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46n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161409
PNG
(CHEMBL362017 | Cinnolin-4-yl-[4-(3,4-dichloro-benz...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O/c27-23-6-5-19(16-24(23)28)15-18-7-11-31(12-8-18)20-9-13-32(14-10-20)26(33)22-17-29-30-25-4-2-1-3-21(22)25/h1-6,16-18,20H,7-15H2
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46n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161433
PNG
(CHEMBL441848 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-6-19(26)14-18-2-4-22(28)23(29)15-18)21-7-12-32(13-8-21)27(34)20-3-5-24-25(16-20)31-10-9-30-24/h2-5,9-10,15-16,19,21,26H,6-8,11-14,17H2,1H3/t19-,26-/m1/s1
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48n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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50n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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50n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161426
PNG
(1-[4-(2,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-21(19)17-26(31)30-14-10-24(11-15-30)29-12-8-20(9-13-29)16-22-6-7-23(27)18-25(22)28/h2-7,18,20,24H,8-17H2,1H3
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56n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161431
PNG
(1-[4-(4-Bromo-benzyl)-[1,4'']bipiperidinyl-1''-yl]...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C26H33BrN2O/c1-20-4-2-3-5-23(20)19-26(30)29-16-12-25(13-17-29)28-14-10-22(11-15-28)18-21-6-8-24(27)9-7-21/h2-9,22,25H,10-19H2,1H3
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66n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161438
PNG
(CHEMBL178875 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cccnc23)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-7-6-20(18-25(24)29)17-19-8-13-31(14-9-19)22-10-15-32(16-11-22)27(33)23-5-1-3-21-4-2-12-30-26(21)23/h1-7,12,18-19,22H,8-11,13-17H2
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68n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161406
PNG
(CHEMBL181929 | Cinnolin-4-yl-[(3S,4S)-4-(3,4-dichl...)
Show SMILES CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1cnnc2ccccc12
Show InChI InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-8-19(26)14-18-6-7-23(28)24(29)15-18)20-9-12-32(13-10-20)27(34)22-16-30-31-25-5-3-2-4-21(22)25/h2-7,15-16,19-20,26H,8-14,17H2,1H3/t19-,26-/m1/s1
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86n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161448
PNG
(4-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-1''-c...)
Show SMILES Cc1ccccc1NC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-4-2-3-5-24(18)28-25(31)30-14-10-21(11-15-30)29-12-8-19(9-13-29)16-20-6-7-22(26)23(27)17-20/h2-7,17,19,21H,8-16H2,1H3,(H,28,31)
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100n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161434
PNG
(1-[4-(2,3-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cccc(Cl)c2Cl)CC1
Show InChI InChI=1S/C26H32Cl2N2O/c1-19-5-2-3-6-21(19)18-25(31)30-15-11-23(12-16-30)29-13-9-20(10-14-29)17-22-7-4-8-24(27)26(22)28/h2-8,20,23H,9-18H2,1H3
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103n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161450
PNG
(CHEMBL425875 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3[nH]ccc23)cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O/c27-23-5-4-19(17-24(23)28)16-18-7-12-30(13-8-18)20-9-14-31(15-10-20)26(32)22-2-1-3-25-21(22)6-11-29-25/h1-6,11,17-18,20,29H,7-10,12-16H2
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111n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161416
PNG
(1-[4-(4-Fluoro-benzyl)-[1,4'']bipiperidinyl-1''-yl...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(F)cc2)CC1
Show InChI InChI=1S/C26H33FN2O/c1-20-4-2-3-5-23(20)19-26(30)29-16-12-25(13-17-29)28-14-10-22(11-15-28)18-21-6-8-24(27)9-7-21/h2-9,22,25H,10-19H2,1H3
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111n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161445
PNG
(CHEMBL178367 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3[nH]ccc3c2)cc1Cl
Show InChI InChI=1S/C26H29Cl2N3O/c27-23-3-1-19(16-24(23)28)15-18-6-11-30(12-7-18)22-8-13-31(14-9-22)26(32)21-2-4-25-20(17-21)5-10-29-25/h1-5,10,16-18,22,29H,6-9,11-15H2
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119n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161408
PNG
((3-Amino-phenyl)-[4-(3,4-dichloro-benzyl)-[1,4'']b...)
Show SMILES Nc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H29Cl2N3O/c25-22-5-4-18(15-23(22)26)14-17-6-10-28(11-7-17)21-8-12-29(13-9-21)24(30)19-2-1-3-20(27)16-19/h1-5,15-17,21H,6-14,27H2
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122n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161412
PNG
(1-[4-(3-Chloro-benzyl)-[1,4'']bipiperidinyl-1''-yl...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C26H33ClN2O/c1-20-5-2-3-7-23(20)19-26(30)29-15-11-25(12-16-29)28-13-9-21(10-14-28)17-22-6-4-8-24(27)18-22/h2-8,18,21,25H,9-17,19H2,1H3
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128n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161413
PNG
((4-Amino-phenyl)-[4-(3,4-dichloro-benzyl)-[1,4'']b...)
Show SMILES Nc1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H29Cl2N3O/c25-22-6-1-18(16-23(22)26)15-17-7-11-28(12-8-17)21-9-13-29(14-10-21)24(30)19-2-4-20(27)5-3-19/h1-6,16-17,21H,7-15,27H2
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136n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161447
PNG
(CHEMBL180988 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-6-5-20(18-25(24)29)17-19-8-13-31(14-9-19)22-10-15-32(16-11-22)27(33)26-23-4-2-1-3-21(23)7-12-30-26/h1-7,12,18-19,22H,8-11,13-17H2
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140n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161442
PNG
(1-[4-(4-Chloro-benzyl)-[1,4'']bipiperidinyl-1''-yl...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H33ClN2O/c1-20-4-2-3-5-23(20)19-26(30)29-16-12-25(13-17-29)28-14-10-22(11-15-28)18-21-6-8-24(27)9-7-21/h2-9,22,25H,10-19H2,1H3
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142n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161417
PNG
(1-[4-(4-Chloro-2-fluoro-benzyl)-[1,4'']bipiperidin...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)cc2F)CC1
Show InChI InChI=1S/C26H32ClFN2O/c1-19-4-2-3-5-21(19)17-26(31)30-14-10-24(11-15-30)29-12-8-20(9-13-29)16-22-6-7-23(27)18-25(22)28/h2-7,18,20,24H,8-17H2,1H3
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145n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161437
PNG
(CHEMBL180989 | N-[(3S,4S)-4-(3,4-Dichloro-benzyl)-...)
Show SMILES CC(=O)N[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H32Cl2N4O2/c1-19(36)33-28-18-35(12-8-22(28)15-20-4-6-25(30)26(31)16-20)24-9-13-34(14-10-24)29(37)23-5-7-27-21(17-23)3-2-11-32-27/h2-7,11,16-17,22,24,28H,8-10,12-15,18H2,1H3,(H,33,36)/t22-,28-/m1/s1
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164n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161435
PNG
(1-[4-(4-Chloro-3-fluoro-benzyl)-[1,4'']bipiperidin...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Cl)c(F)c2)CC1
Show InChI InChI=1S/C26H32ClFN2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3
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191n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161428
PNG
(CHEMBL362401 | N-[(3R,4S)-4-(3,4-Dichloro-benzyl)-...)
Show SMILES CC(=O)NC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C30H34Cl2N4O2/c1-20(37)34-18-25-19-36(12-8-22(25)15-21-4-6-27(31)28(32)16-21)26-9-13-35(14-10-26)30(38)24-5-7-29-23(17-24)3-2-11-33-29/h2-7,11,16-17,22,25-26H,8-10,12-15,18-19H2,1H3,(H,34,37)/t22-,25-/m1/s1
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205n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161410
PNG
(1-[4-(2,5-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cc(Cl)ccc2Cl)CC1
Show InChI InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-21(19)18-26(31)30-14-10-24(11-15-30)29-12-8-20(9-13-29)16-22-17-23(27)6-7-25(22)28/h2-7,17,20,24H,8-16,18H2,1H3
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251n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161414
PNG
(CHEMBL181789 | N-[(3S,4S)-4-(3,4-Dichloro-benzyl)-...)
Show SMILES CS(=O)(=O)NC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H34Cl2N4O3S/c1-39(37,38)33-18-24-19-35(12-8-21(24)15-20-4-6-26(30)27(31)16-20)25-9-13-34(14-10-25)29(36)23-5-7-28-22(17-23)3-2-11-32-28/h2-7,11,16-17,21,24-25,33H,8-10,12-15,18-19H2,1H3/t21-,24-/m1/s1
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331n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161436
PNG
(CHEMBL178438 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES COC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H33Cl2N3O2/c1-36-19-24-18-34(12-8-21(24)15-20-4-6-26(30)27(31)16-20)25-9-13-33(14-10-25)29(35)23-5-7-28-22(17-23)3-2-11-32-28/h2-7,11,16-17,21,24-25H,8-10,12-15,18-19H2,1H3/t21-,24+/m1/s1
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394n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161436
PNG
(CHEMBL178438 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES COC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C29H33Cl2N3O2/c1-36-19-24-18-34(12-8-21(24)15-20-4-6-26(30)27(31)16-20)25-9-13-33(14-10-25)29(35)23-5-7-28-22(17-23)3-2-11-32-28/h2-7,11,16-17,21,24-25H,8-10,12-15,18-19H2,1H3/t21-,24+/m1/s1
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394n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161451
PNG
(1-[4-(4-Bromo-benzyl)-[1,4'']bipiperidinyl-1''-yl]...)
Show SMILES COc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-5-3-2-4-22(25)19-26(30)29-16-12-24(13-17-29)28-14-10-21(11-15-28)18-20-6-8-23(27)9-7-20/h2-9,21,24H,10-19H2,1H3
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403n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161440
PNG
(CHEMBL359850 | [4-(3,4-Dichloro-benzyl)-[1,4'']bip...)
Show SMILES Clc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnc3ccccc3c2)cc1Cl
Show InChI InChI=1S/C27H29Cl2N3O/c28-24-6-5-20(16-25(24)29)15-19-7-11-31(12-8-19)23-9-13-32(14-10-23)27(33)22-17-21-3-1-2-4-26(21)30-18-22/h1-6,16-19,23H,7-15H2
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458n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161444
PNG
(1-[4-(3-Chloro-5-fluoro-benzyl)-[1,4'']bipiperidin...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cc(F)cc(Cl)c2)CC1
Show InChI InChI=1S/C26H32ClFN2O/c1-19-4-2-3-5-22(19)17-26(31)30-12-8-25(9-13-30)29-10-6-20(7-11-29)14-21-15-23(27)18-24(28)16-21/h2-5,15-16,18,20,25H,6-14,17H2,1H3
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504n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
Probable C-C chemokine receptor type 3


(Mus musculus)
BDBM50161407
PNG
(CHEMBL178447 | [(3S,4S)-4-(3,4-Dichloro-benzyl)-3-...)
Show SMILES OC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C28H31Cl2N3O2/c29-25-5-3-19(15-26(25)30)14-20-7-11-33(17-23(20)18-34)24-8-12-32(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-31-27/h1-6,10,15-16,20,23-24,34H,7-9,11-14,17-18H2/t20-,23+/m1/s1
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606n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against mouse CC chemokine receptor 3


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161427
PNG
(1-[4-(4-Methoxy-benzyl)-[1,4'']bipiperidinyl-1''-y...)
Show SMILES COc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)Cc2ccccc2C)cc1
Show InChI InChI=1S/C27H36N2O2/c1-21-5-3-4-6-24(21)20-27(30)29-17-13-25(14-18-29)28-15-11-23(12-16-28)19-22-7-9-26(31-2)10-8-22/h3-10,23,25H,11-20H2,1-2H3
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792n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50161411
PNG
(1-[4-(3,5-Dichloro-benzyl)-[1,4'']bipiperidinyl-1'...)
Show SMILES Cc1ccccc1CC(=O)N1CCC(CC1)N1CCC(Cc2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C26H32Cl2N2O/c1-19-4-2-3-5-22(19)17-26(31)30-12-8-25(9-13-30)29-10-6-20(7-11-29)14-21-15-23(27)18-24(28)16-21/h2-5,15-16,18,20,25H,6-14,17H2,1H3
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938n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line


Bioorg Med Chem Lett 15: 1375-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.016
BindingDB Entry DOI: 10.7270/Q2B857NS
More data for this
Ligand-Target Pair
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