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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50040635   
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))
BDBM50397494
PNG
(CHEMBL2171047)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Show InChI InChI=1S/C25H31Cl2N3O4S/c1-17-3-5-21(6-4-17)35(32,33)28-25(31)30-13-9-19(10-14-30)29-15-11-20(12-16-29)34-23-8-7-22(26)18(2)24(23)27/h3-8,19-20H,9-16H2,1-2H3,(H,28,31)
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0.631n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397482
PNG
(CHEMBL2171013)
Show SMILES CN(C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H31Cl2N3O4S/c1-18-3-6-22(7-4-18)35(32,33)28(2)25(31)30-13-9-19(10-14-30)29-15-11-20(12-16-29)34-21-5-8-23(26)24(27)17-21/h3-8,17,19-20H,9-16H2,1-2H3
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2.51n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397483
PNG
(CHEMBL2171014)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Show InChI InChI=1S/C26H34Cl2N4O4S/c1-18-23(27)8-9-24(25(18)28)36-21-12-16-31(17-13-21)20-10-14-32(15-11-20)26(33)29-37(34,35)22-6-4-19(5-7-22)30(2)3/h4-9,20-21H,10-17H2,1-3H3,(H,29,33)
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3.16n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397516
PNG
(CHEMBL2171021)
Show SMILES Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(c2)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C25H30Cl2N2O4S/c1-17-22(26)6-7-23(24(17)27)33-20-10-14-28(15-11-20)19-8-12-29(13-9-19)25(30)18-4-3-5-21(16-18)34(2,31)32/h3-7,16,19-20H,8-15H2,1-2H3
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5.01n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397501
PNG
(CHEMBL2171039)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1Cl
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-19-6-5-18(15-21(19)26)33-17-9-13-28(14-10-17)16-7-11-29(12-8-16)23(30)27-34(31,32)22-4-2-1-3-20(22)25/h1-6,15-17H,7-14H2,(H,27,30)
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5.01n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397498
PNG
(CHEMBL2171043)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-2-1-3-20(14-16)34(31,32)27-23(30)29-10-6-17(7-11-29)28-12-8-18(9-13-28)33-19-4-5-21(25)22(26)15-19/h1-5,14-15,17-18H,6-13H2,(H,27,30)
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6.31n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50394155
PNG
(CHEMBL2158814)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)
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6.31n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397498
PNG
(CHEMBL2171043)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-2-1-3-20(14-16)34(31,32)27-23(30)29-10-6-17(7-11-29)28-12-8-18(9-13-28)33-19-4-5-21(25)22(26)15-19/h1-5,14-15,17-18H,6-13H2,(H,27,30)
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7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397518
PNG
(CHEMBL2171019)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O4S/c1-33(30,31)21-4-2-3-17(15-21)24(29)28-11-7-18(8-12-28)27-13-9-19(10-14-27)32-20-5-6-22(25)23(26)16-20/h2-6,15-16,18-19H,7-14H2,1H3
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7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397486
PNG
(CHEMBL2171048)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C25H32ClN3O4S/c1-18-3-6-23(7-4-18)34(31,32)27-25(30)29-13-9-21(10-14-29)28-15-11-22(12-16-28)33-24-8-5-20(26)17-19(24)2/h3-8,17,21-22H,9-16H2,1-2H3,(H,27,30)
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7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397489
PNG
(CHEMBL2171035)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-1-4-20(5-2-16)34(31,32)27-23(30)29-11-7-17(8-12-29)28-13-9-18(10-14-28)33-19-3-6-21(25)22(26)15-19/h1-6,15,17-18H,7-14H2,(H,27,30)
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7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397517
PNG
(CHEMBL2171020)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c(=O)c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H27Cl2N3O3/c27-23-6-5-19(15-24(23)28)34-18-9-13-30(14-10-18)17-7-11-31(12-8-17)26(33)22-16-29-25(32)21-4-2-1-3-20(21)22/h1-6,15-18H,7-14H2,(H,29,32)
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10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397484
PNG
(CHEMBL2171016)
Show SMILES Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30)
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12.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397512
PNG
(CHEMBL2171025)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O4/c26-21-6-5-20(15-22(21)27)34-19-9-13-30(14-10-19)18-7-11-31(12-8-18)24(32)17-3-1-16(2-4-17)23-28-25(33)35-29-23/h1-6,15,18-19H,7-14H2,(H,28,29,33)
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397495
PNG
(CHEMBL2171046)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-19(9-13-29)28-14-10-20(11-15-28)33-23-7-4-18(25)16-22(23)26/h2-7,16,19-20H,8-15H2,1H3,(H,27,30)
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397509
PNG
(CHEMBL2171028)
Show SMILES OC(=O)CCNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H31Cl2N3O4/c27-22-6-5-20(17-23(22)28)35-19-10-15-30(16-11-19)18-8-13-31(14-9-18)26(34)21-3-1-2-4-24(21)29-12-7-25(32)33/h1-6,17-19,29H,7-16H2,(H,32,33)
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397490
PNG
(CHEMBL2171033)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-19(16-22(21)25)32-18-10-14-27(15-11-18)17-8-12-28(13-9-17)23(29)26-33(30,31)20-4-2-1-3-5-20/h1-7,16-18H,8-15H2,(H,26,29)
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15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397488
PNG
(CHEMBL2171038)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-4-2-3-5-23(17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-6-7-21(25)22(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397489
PNG
(CHEMBL2171035)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-16-1-4-20(5-2-16)34(31,32)27-23(30)29-11-7-17(8-12-29)28-13-9-18(10-14-28)33-19-3-6-21(25)22(26)15-19/h1-6,15,17-18H,7-14H2,(H,27,30)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397503
PNG
(CHEMBL2171036)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O5S/c1-33-18-2-5-21(6-3-18)35(31,32)27-24(30)29-12-8-17(9-13-29)28-14-10-19(11-15-28)34-20-4-7-22(25)23(26)16-20/h2-7,16-17,19H,8-15H2,1H3,(H,27,30)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397502
PNG
(CHEMBL2171037)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N4O4S/c1-29(2)18-3-6-22(7-4-18)36(33,34)28-25(32)31-13-9-19(10-14-31)30-15-11-20(12-16-30)35-21-5-8-23(26)24(27)17-21/h3-8,17,19-20H,9-16H2,1-2H3,(H,28,32)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397487
PNG
(CHEMBL2171040)
Show SMILES COc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O5S/c1-33-22-4-2-3-5-23(22)35(31,32)27-24(30)29-12-8-17(9-13-29)28-14-10-18(11-15-28)34-19-6-7-20(25)21(26)16-19/h2-7,16-18H,8-15H2,1H3,(H,27,30)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397497
PNG
(CHEMBL2171044)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C24H26Cl2N4O4S/c25-22-5-4-20(15-23(22)26)34-19-8-12-29(13-9-19)18-6-10-30(11-7-18)24(31)28-35(32,33)21-3-1-2-17(14-21)16-27/h1-5,14-15,18-19H,6-13H2,(H,28,31)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397494
PNG
(CHEMBL2171047)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Show InChI InChI=1S/C25H31Cl2N3O4S/c1-17-3-5-21(6-4-17)35(32,33)28-25(31)30-13-9-19(10-14-30)29-15-11-20(12-16-29)34-23-8-7-22(26)18(2)24(23)27/h3-8,19-20H,9-16H2,1-2H3,(H,28,31)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397483
PNG
(CHEMBL2171014)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Show InChI InChI=1S/C26H34Cl2N4O4S/c1-18-23(27)8-9-24(25(18)28)36-21-12-16-31(17-13-21)20-10-14-32(15-11-20)26(33)29-37(34,35)22-6-4-19(5-7-22)30(2)3/h4-9,20-21H,10-17H2,1-3H3,(H,29,33)
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397514
PNG
(CHEMBL2171023)
Show SMILES OC(=O)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N2O4/c25-21-6-5-18(15-22(21)26)32-17-9-13-27(14-10-17)16-7-11-28(12-8-16)23(29)19-3-1-2-4-20(19)24(30)31/h1-6,15-17H,7-14H2,(H,30,31)
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25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397500
PNG
(CHEMBL2171041)
Show SMILES CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N4O4S/c1-29(2)23-5-3-4-6-24(23)36(33,34)28-25(32)31-13-9-18(10-14-31)30-15-11-19(12-16-30)35-20-7-8-21(26)22(27)17-20/h3-8,17-19H,9-16H2,1-2H3,(H,28,32)
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25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397486
PNG
(CHEMBL2171048)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C25H32ClN3O4S/c1-18-3-6-23(7-4-18)34(31,32)27-25(30)29-13-9-21(10-14-29)28-15-11-22(12-16-28)33-24-8-5-20(26)17-19(24)2/h3-8,17,21-22H,9-16H2,1-2H3,(H,27,30)
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25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397484
PNG
(CHEMBL2171016)
Show SMILES Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-21(25)7-8-22(23(17)26)33-20-11-13-28(14-12-20)19-9-15-29(16-10-19)34(31,32)27-24(30)18-5-3-2-4-6-18/h2-8,19-20H,9-16H2,1H3,(H,27,30)
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25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397517
PNG
(CHEMBL2171020)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c(=O)c3ccccc23)cc1Cl
Show InChI InChI=1S/C26H27Cl2N3O3/c27-23-6-5-19(15-24(23)28)34-18-9-13-30(14-10-18)17-7-11-31(12-8-17)26(33)22-16-29-25(32)21-4-2-1-3-20(21)22/h1-6,15-18H,7-14H2,(H,29,32)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397516
PNG
(CHEMBL2171021)
Show SMILES Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(c2)S(C)(=O)=O)c1Cl
Show InChI InChI=1S/C25H30Cl2N2O4S/c1-17-22(26)6-7-23(24(17)27)33-20-10-14-28(15-11-20)19-8-12-29(13-9-19)25(30)18-4-3-5-21(16-18)34(2,31)32/h3-7,16,19-20H,8-15H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397487
PNG
(CHEMBL2171040)
Show SMILES COc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O5S/c1-33-22-4-2-3-5-23(22)35(31,32)27-24(30)29-12-8-17(9-13-29)28-14-10-18(11-15-28)34-19-6-7-20(25)21(26)16-19/h2-7,16-18H,8-15H2,1H3,(H,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397495
PNG
(CHEMBL2171046)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-19(9-13-29)28-14-10-20(11-15-28)33-23-7-4-18(25)16-22(23)26/h2-7,16,19-20H,8-15H2,1H3,(H,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397496
PNG
(CHEMBL2171045)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2F3N3O4S/c25-21-5-4-19(15-22(21)26)36-18-8-12-31(13-9-18)17-6-10-32(11-7-17)23(33)30-37(34,35)20-3-1-2-16(14-20)24(27,28)29/h1-5,14-15,17-18H,6-13H2,(H,30,33)
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31.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397490
PNG
(CHEMBL2171033)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-19(16-22(21)25)32-18-10-14-27(15-11-18)17-8-12-28(13-9-17)23(29)26-33(30,31)20-4-2-1-3-5-20/h1-7,16-18H,8-15H2,(H,26,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397511
PNG
(CHEMBL2171026)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nnn[nH]2)cc1Cl
Show InChI InChI=1S/C24H26Cl2N6O2/c25-21-6-5-20(15-22(21)26)34-19-9-13-31(14-10-19)18-7-11-32(12-8-18)24(33)17-3-1-16(2-4-17)23-27-29-30-28-23/h1-6,15,18-19H,7-14H2,(H,27,28,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397499
PNG
(CHEMBL2171042)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-3-2-4-21(15-17)34(31,32)27-24(30)29-11-7-18(8-12-29)28-13-9-19(10-14-28)33-20-5-6-22(25)23(26)16-20/h2-6,15-16,18-19H,7-14H2,1H3,(H,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397504
PNG
(CHEMBL2171034)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2FN3O4S/c24-21-6-3-19(15-22(21)25)33-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)27-34(31,32)20-4-1-16(26)2-5-20/h1-6,15,17-18H,7-14H2,(H,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50394155
PNG
(CHEMBL2158814)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-2-5-21(6-3-17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-4-7-22(25)23(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)
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31.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397500
PNG
(CHEMBL2171041)
Show SMILES CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N4O4S/c1-29(2)23-5-3-4-6-24(23)36(33,34)28-25(32)31-13-9-18(10-14-31)30-15-11-19(12-16-30)35-20-7-8-21(26)22(27)17-20/h3-8,17-19H,9-16H2,1-2H3,(H,28,32)
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31.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397496
PNG
(CHEMBL2171045)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2F3N3O4S/c25-21-5-4-19(15-22(21)26)36-18-8-12-31(13-9-18)17-6-10-32(11-7-17)23(33)30-37(34,35)20-3-1-2-16(14-20)24(27,28)29/h1-5,14-15,17-18H,6-13H2,(H,30,33)
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39.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397503
PNG
(CHEMBL2171036)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O5S/c1-33-18-2-5-21(6-3-18)35(31,32)27-24(30)29-12-8-17(9-13-29)28-14-10-19(11-15-28)34-20-4-7-22(25)23(26)16-20/h2-7,16-17,19H,8-15H2,1H3,(H,27,30)
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39.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397508
PNG
(CHEMBL2171029)
Show SMILES OC(=O)CCCCn1nnc(n1)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H34Cl2N6O4/c30-25-9-8-24(19-26(25)31)41-23-12-17-35(18-13-23)22-10-15-36(16-11-22)29(40)21-6-4-20(5-7-21)28-32-34-37(33-28)14-2-1-3-27(38)39/h4-9,19,22-23H,1-3,10-18H2,(H,38,39)
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39.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397501
PNG
(CHEMBL2171039)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1Cl
Show InChI InChI=1S/C23H26Cl3N3O4S/c24-19-6-5-18(15-21(19)26)33-17-9-13-28(14-10-17)16-7-11-29(12-8-16)23(30)27-34(31,32)22-4-2-1-3-20(22)25/h1-6,15-17H,7-14H2,(H,27,30)
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397491
PNG
(CHEMBL2171215)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C24H29Cl2N3O4S/c25-22-7-6-21(16-23(22)26)33-20-10-14-28(15-11-20)19-8-12-29(13-9-19)24(30)27-34(31,32)17-18-4-2-1-3-5-18/h1-7,16,19-20H,8-15,17H2,(H,27,30)
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397488
PNG
(CHEMBL2171038)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4S/c1-17-4-2-3-5-23(17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-6-7-21(25)22(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397502
PNG
(CHEMBL2171037)
Show SMILES CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H32Cl2N4O4S/c1-29(2)18-3-6-22(7-4-18)36(33,34)28-25(32)31-13-9-19(10-14-31)30-15-11-20(12-16-30)35-21-5-8-23(26)24(27)17-21/h3-8,17,19-20H,9-16H2,1-2H3,(H,28,32)
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50397504
PNG
(CHEMBL2171034)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2FN3O4S/c24-21-6-3-19(15-22(21)25)33-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)27-34(31,32)20-4-1-16(26)2-5-20/h1-6,15,17-18H,7-14H2,(H,27,30)
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397518
PNG
(CHEMBL2171019)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O4S/c1-33(30,31)21-4-2-3-17(15-21)24(29)28-11-7-18(8-12-28)27-13-9-19(10-14-27)32-20-5-6-22(25)23(26)16-20/h2-6,15-16,18-19H,7-14H2,1H3
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50.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50397485
PNG
(CHEMBL2171015)
Show SMILES Clc1ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)cc1Cl
Show InChI InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-20(16-22(21)25)32-19-10-12-27(13-11-19)18-8-14-28(15-9-18)33(30,31)26-23(29)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2,(H,26,29)
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79.4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay


Bioorg Med Chem Lett 22: 6688-93 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.124
BindingDB Entry DOI: 10.7270/Q2QF8V00
More data for this
Ligand-Target Pair
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