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11 similar compounds to monomer 50402123

Compile data set for download or QSAR
Wt: 500.4
BDBM50397517
Wt: 487.9
BDBM50402111
Wt: 508.3
BDBM50402112
Wt: 569.4
BDBM50402119
Wt: 508.3
BDBM50402121
Wt: 487.9
BDBM50402122
Wt: 568.4
BDBM50402127
Wt: 480.9
BDBM50402129
Wt: 533.4
BDBM50402131
Wt: 490.3
BDBM50402136
Wt: 504.4
BDBM50402819

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50397517,50402111,50402112,50402119,50402121,50402122,50402127,50402129,50402131,50402136,50402819   
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))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK...


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402112
PNG
(CHEMBL2207656)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-19-5-4-16(10-20(19)26)34-15-6-8-30(9-7-15)13-14(31)11-28-23(32)18-12-29-24(33)22-17(18)2-1-3-21(22)27/h1-5,10,12,14-15,31H,6-9,11,13H2,(H,28,32)(H,29,33)/t14-/m1/s1
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2n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK...


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
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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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402112
PNG
(CHEMBL2207656)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-19-5-4-16(10-20(19)26)34-15-6-8-30(9-7-15)13-14(31)11-28-23(32)18-12-29-24(33)22-17(18)2-1-3-21(22)27/h1-5,10,12,14-15,31H,6-9,11,13H2,(H,28,32)(H,29,33)/t14-/m1/s1
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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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402121
PNG
(CHEMBL2207280)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-21-4-2-17(10-22(21)26)34-16-5-7-30(8-6-16)13-15(31)11-28-24(33)20-12-29-23(32)18-3-1-14(27)9-19(18)20/h1-4,9-10,12,15-16,31H,5-8,11,13H2,(H,28,33)(H,29,32)/t15-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402129
PNG
(CHEMBL2207669)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C25H25ClN4O4/c26-23-11-19(6-5-16(23)12-27)34-18-7-9-30(10-8-18)15-17(31)13-28-25(33)22-14-29-24(32)21-4-2-1-3-20(21)22/h1-6,11,14,17-18,31H,7-10,13,15H2,(H,28,33)(H,29,32)/t17-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402122
PNG
(CHEMBL2207279)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(F)ccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-10-16(26)2-5-23(15)34-19-6-8-30(9-7-19)14-18(31)12-28-25(33)22-13-29-24(32)21-11-17(27)3-4-20(21)22/h2-5,10-11,13,18-19,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t18-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402121
PNG
(CHEMBL2207280)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-21-4-2-17(10-22(21)26)34-16-5-7-30(8-6-16)13-15(31)11-28-24(33)20-12-29-23(32)18-3-1-14(27)9-19(18)20/h1-4,9-10,12,15-16,31H,5-8,11,13H2,(H,28,33)(H,29,32)/t15-/m1/s1
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6.31n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
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7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402122
PNG
(CHEMBL2207279)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(F)ccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-10-16(26)2-5-23(15)34-19-6-8-30(9-7-19)14-18(31)12-28-25(33)22-13-29-24(32)21-11-17(27)3-4-20(21)22/h2-5,10-11,13,18-19,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t18-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402131
PNG
(CHEMBL2207667)
Show SMILES NC(=O)c1c(Cl)c(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C25H26Cl2N4O5/c26-19-5-6-20(21(22(19)27)23(28)33)36-15-7-9-31(10-8-15)13-14(32)11-29-25(35)18-12-30-24(34)17-4-2-1-3-16(17)18/h1-6,12,14-15,32H,7-11,13H2,(H2,28,33)(H,29,35)(H,30,34)/t14-/m1/s1
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19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
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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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
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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 recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
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25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
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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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))
BDBM50402129
PNG
(CHEMBL2207669)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C25H25ClN4O4/c26-23-11-19(6-5-16(23)12-27)34-18-7-9-30(10-8-18)15-17(31)13-28-25(33)22-14-29-24(32)21-4-2-1-3-20(21)22/h1-6,11,14,17-18,31H,7-10,13,15H2,(H,28,33)(H,29,32)/t17-/m1/s1
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126n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402131
PNG
(CHEMBL2207667)
Show SMILES NC(=O)c1c(Cl)c(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C25H26Cl2N4O5/c26-19-5-6-20(21(22(19)27)23(28)33)36-15-7-9-31(10-8-15)13-14(32)11-29-25(35)18-12-30-24(34)17-4-2-1-3-16(17)18/h1-6,12,14-15,32H,7-11,13H2,(H2,28,33)(H,29,35)(H,30,34)/t14-/m1/s1
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251n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG in HEK cells by ion flux electrophysiology assay


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402819
PNG
(CHEMBL2208433)
Show SMILES CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H27Cl2N3O4/c1-29(25(33)21-13-28-24(32)20-5-3-2-4-19(20)21)14-16(31)15-30-10-8-17(9-11-30)34-18-6-7-22(26)23(27)12-18/h2-7,12-13,16-17,31H,8-11,14-15H2,1H3,(H,28,32)/t16-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG in HEK cells by ion flux electrophysiology assay


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by ion flux assay


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402121
PNG
(CHEMBL2207280)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-21-4-2-17(10-22(21)26)34-16-5-7-30(8-6-16)13-15(31)11-28-24(33)20-12-29-23(32)18-3-1-14(27)9-19(18)20/h1-4,9-10,12,15-16,31H,5-8,11,13H2,(H,28,33)(H,29,32)/t15-/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
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n/an/a>6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402112
PNG
(CHEMBL2207656)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H24Cl2FN3O4/c25-19-5-4-16(10-20(19)26)34-15-6-8-30(9-7-15)13-14(31)11-28-23(32)18-12-29-24(33)22-17(18)2-1-3-21(22)27/h1-5,10,12,14-15,31H,6-9,11,13H2,(H,28,32)(H,29,33)/t14-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402111
PNG
(CHEMBL2207657)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1
Show InChI InChI=1S/C25H27ClFN3O4/c1-15-11-16(26)5-6-22(15)34-18-7-9-30(10-8-18)14-17(31)12-28-24(32)20-13-29-25(33)23-19(20)3-2-4-21(23)27/h2-6,11,13,17-18,31H,7-10,12,14H2,1H3,(H,28,32)(H,29,33)/t17-/m1/s1
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n/an/a>3.16E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50402136
PNG
(CHEMBL2207666)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H25Cl2N3O4/c25-21-6-5-17(11-22(21)26)33-16-7-9-29(10-8-16)14-15(30)12-27-24(32)20-13-28-23(31)19-4-2-1-3-18(19)20/h1-6,11,13,15-16,30H,7-10,12,14H2,(H,27,32)(H,28,31)/t15-/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at CCR1


Bioorg Med Chem Lett 22: 7702-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.113
BindingDB Entry DOI: 10.7270/Q2CJ8FNG
More data for this
Ligand-Target Pair