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18 similar compounds to monomer 50402127

Compile data set for download or QSAR
Wt: 500.4
BDBM50397517
Wt: 508.3
BDBM50402112
Wt: 639.5
BDBM50402113
Wt: 609.5
BDBM50402114
Wt: 597.5
BDBM50402115
Wt: 609.5
BDBM50402116
Wt: 583.4
BDBM50402117
Wt: 582.4
BDBM50402118
Wt: 569.4
BDBM50402119
Wt: 613.5
BDBM50402120
Wt: 508.3
BDBM50402121
Wt: 508.3
BDBM50402123
Wt: 548.0
BDBM50402124
Wt: 548.0
BDBM50402125
Wt: 582.4
BDBM50402126
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50397517,50402112,50402113,50402114,50402115,50402116,50402117,50402118,50402119,50402120,50402121,50402123,50402124,50402125,50402126   
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))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
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0.316n/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))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=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/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/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))
BDBM50402118
PNG
(CHEMBL2207283)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)19-4-3-18(11-20(19)21)38(2,35)36/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1
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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
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))
BDBM50402123
PNG
(CHEMBL2207278)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(F)ccc12)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)19-9-14(27)1-3-18(19)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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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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/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))
BDBM50402126
PNG
(CHEMBL2207672)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)20-11-18(38(2,35)36)3-4-19(20)21/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/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 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))
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))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=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/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/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]-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))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/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))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
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5.01n/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))
BDBM50402124
PNG
(CHEMBL2207277)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)21-5-4-20(12-22(21)23)37(2,34)35/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/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]-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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402123
PNG
(CHEMBL2207278)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(F)ccc12)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)19-9-14(27)1-3-18(19)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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7.94n/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))
BDBM50402120
PNG
(CHEMBL2207281)
Show SMILES OCCNS(=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/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/s1
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10n/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
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=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/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/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]-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))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=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/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/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))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
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15.8n/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
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))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=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/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/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]-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))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=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/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/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]-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))
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))
BDBM50402120
PNG
(CHEMBL2207281)
Show SMILES OCCNS(=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/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/s1
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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 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))
BDBM50402126
PNG
(CHEMBL2207672)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)20-11-18(38(2,35)36)3-4-19(20)21/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1
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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 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))
BDBM50402124
PNG
(CHEMBL2207277)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)21-5-4-20(12-22(21)23)37(2,34)35/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
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63.1n/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))
BDBM50402118
PNG
(CHEMBL2207283)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)19-4-3-18(11-20(19)21)38(2,35)36/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/m1/s1
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63.1n/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))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
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79.4n/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))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=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/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/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))
BDBM50402118
PNG
(CHEMBL2207283)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)19-4-3-18(11-20(19)21)38(2,35)36/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/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
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))
BDBM50402120
PNG
(CHEMBL2207281)
Show SMILES OCCNS(=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/C26H30Cl2N4O7S/c27-23-4-1-18(11-24(23)28)39-17-5-8-32(9-6-17)15-16(34)13-29-26(36)22-14-30-25(35)21-12-19(2-3-20(21)22)40(37,38)31-7-10-33/h1-4,11-12,14,16-17,31,33-34H,5-10,13,15H2,(H,29,36)(H,30,35)/t16-/m1/s1
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n/an/a 5.01E+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))
BDBM50402124
PNG
(CHEMBL2207277)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)21-5-4-20(12-22(21)23)37(2,34)35/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/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))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
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n/an/a 794n/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))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
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n/an/a 1.00E+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))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=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/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/m1/s1
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n/an/a 3.16E+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))
BDBM50402126
PNG
(CHEMBL2207672)
Show SMILES Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl
Show InChI InChI=1S/C26H29Cl2N3O6S/c1-15-22(27)5-6-23(24(15)28)37-17-7-9-31(10-8-17)14-16(32)12-29-26(34)21-13-30-25(33)20-11-18(38(2,35)36)3-4-19(20)21/h3-6,11,13,16-17,32H,7-10,12,14H2,1-2H3,(H,29,34)(H,30,33)/t16-/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=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/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/m1/s1
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n/an/a 1.00E+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