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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'werthmann' and Initial = 'u'   
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))
BDBM123070
PNG
(US8742115, 9)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C29H36ClN5O3/c1-19-15-21(5-6-24(19)30)18-33-13-9-23(10-14-33)35-25(7-8-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-3-4-12-34/h5-6,15-17,23,25H,3-4,7-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123096
PNG
(US10213421, Example 10 | US8742115, 36)
Show SMILES CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C28H36ClN5O3/c1-5-32(4)28(37)21-15-19(3)30-25(16-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-20-6-7-23(29)18(2)14-20/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123082
PNG
(US10213421, Example 8 | US8742115, 22)
Show SMILES CC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123092
PNG
(US8742115, 32)
Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C1CC1 |r|
Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-19(4-7-23(18)30)17-34-12-10-22(11-13-34)35-25(8-9-27(35)36)28(37)32-26-16-21(29(38)33(2)3)15-24(31-26)20-5-6-20/h4,7,14-16,20,22,25H,5-6,8-13,17H2,1-3H3,(H,31,32,37)/t25-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123072
PNG
(US10213421, Example 2 | US8742115, 11)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123076
PNG
(US10213421, Example 3 | US8742115, 15)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC1CC1 |r|
Show InChI InChI=1S/C29H36ClN5O3/c1-18-13-21(5-6-24(18)30)17-34-11-9-23(10-12-34)35-25(7-8-27(35)36)29(38)33-26-15-22(14-19(2)32-26)28(37)31-16-20-3-4-20/h5-6,13-15,20,23,25H,3-4,7-12,16-17H2,1-2H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123080
PNG
(US10213421, Example 6 | US8742115, 19)
Show SMILES CCC(C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C29H38ClN5O3/c1-5-19(3)32-28(37)22-15-20(4)31-26(16-22)33-29(38)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)18(2)14-21/h6-7,14-16,19,23,25H,5,8-13,17H2,1-4H3,(H,32,37)(H,31,33,38)/t19?,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123089
PNG
(US8742115, 29)
Show SMILES CC(C)c1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)24-15-21(29(38)33(4)5)16-26(31-24)32-28(37)25-8-9-27(36)35(25)22-10-12-34(13-11-22)17-20-6-7-23(30)19(3)14-20/h6-7,14-16,18,22,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123083
PNG
(US10213421, Example 9 | US8742115, 23)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NC1CCC1 |r|
Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38)/t25-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123078
PNG
(US10213421, Example 4 | US8742115, 17)
Show SMILES CC(C)CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123079
PNG
(US10213421, Example 5 | US8742115, 18)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F |r|
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123073
PNG
(US8742115, 12)
Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCCC2)ccc1Cl |r|
Show InChI InChI=1S/C28H34ClN5O3/c1-19-16-20(4-5-23(19)29)18-32-14-9-22(10-15-32)34-24(6-7-26(34)35)27(36)31-25-17-21(8-11-30-25)28(37)33-12-2-3-13-33/h4-5,8,11,16-17,22,24H,2-3,6-7,9-10,12-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123081
PNG
(US10213421, Example 7 | US8742115, 21)
Show SMILES CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C30H40ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38)/t21?,26-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123084
PNG
(US8742115, 24)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Br)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C27H34BrN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123071
PNG
(US8742115, 10)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C29H36ClN5O4/c1-19-15-21(3-4-24(19)30)18-33-9-7-23(8-10-33)35-25(5-6-27(35)36)28(37)32-26-17-22(16-20(2)31-26)29(38)34-11-13-39-14-12-34/h3-4,15-17,23,25H,5-14,18H2,1-2H3,(H,31,32,37)/t25-/m1/s1
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123077
PNG
(US8742115, 16)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C28H34ClN5O3/c1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33/h4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36)/t24-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123094
PNG
(US8742115, 34)
Show SMILES CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)nc(c1)C#C |r|
Show InChI InChI=1S/C28H32ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h1,6-7,14-16,22,24H,8-13,17H2,2-4H3,(H,30,31,36)/t24-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123093
PNG
(US8742115, 33)
Show SMILES CCc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(cc(C)n2)C(=O)N(C)C)ccc1Cl |r|
Show InChI InChI=1S/C28H36ClN5O3/c1-5-20-15-19(6-7-23(20)29)17-33-12-10-22(11-13-33)34-24(8-9-26(34)35)27(36)31-25-16-21(14-18(2)30-25)28(37)32(3)4/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123085
PNG
(US8742115, 25)
Show SMILES CCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r|
Show InChI InChI=1S/C28H36ClN5O3/c1-5-21-15-20(28(37)32(3)4)16-25(30-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-19-6-7-23(29)18(2)14-19/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123069
PNG
(US8742115, 8)
Show SMILES CN(C)C(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C26H32ClN5O3/c1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3/h4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34)/t22-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123068
PNG
(US10213421, Example 1 | US8742115, 7)
Show SMILES CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C26H32ClN5O3/c1-16-12-18(4-5-21(16)27)15-31-10-8-20(9-11-31)32-22(6-7-24(32)33)26(35)30-23-14-19(25(34)28-3)13-17(2)29-23/h4-5,12-14,20,22H,6-11,15H2,1-3H3,(H,28,34)(H,29,30,35)/t22-/m1/s1
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10.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123088
PNG
(US8742115, 28)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 |r|
Show InChI InChI=1S/C26H31Cl2N5O3/c1-16-12-18(26(36)31(2)3)14-23(29-16)30-25(35)22-6-7-24(34)33(22)19-8-10-32(11-9-19)15-17-4-5-20(27)21(28)13-17/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,29,30,35)/t22-/m1/s1
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17.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123074
PNG
(US8742115, 13)
Show SMILES Cc1cc(CN2CCC(CC2)N2[C@H](CCC2=O)C(=O)Nc2cc(ccn2)C(=O)N2CCOCC2)ccc1Cl |r|
Show InChI InChI=1S/C28H34ClN5O4/c1-19-16-20(2-3-23(19)29)18-32-10-7-22(8-11-32)34-24(4-5-26(34)35)27(36)31-25-17-21(6-9-30-25)28(37)33-12-14-38-15-13-33/h2-3,6,9,16-17,22,24H,4-5,7-8,10-15,18H2,1H3,(H,30,31,36)/t24-/m1/s1
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19.1n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123062
PNG
(US8742115, 1)
Show SMILES CNC(=O)c1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C25H30ClN5O3/c1-16-13-17(3-4-20(16)26)15-30-11-8-19(9-12-30)31-21(5-6-23(31)32)25(34)29-22-14-18(7-10-28-22)24(33)27-2/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
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23.4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123064
PNG
(US8742115, 3)
Show SMILES COc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C24H29ClN4O3/c1-16-13-17(3-4-20(16)25)15-28-11-8-18(9-12-28)29-21(5-6-23(29)30)24(31)27-22-14-19(32-2)7-10-26-22/h3-4,7,10,13-14,18,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
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46.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123095
PNG
(US8742115, 35)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3cc(C)c(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C28H36ClN5O3/c1-17-12-20(13-18(2)26(17)29)16-33-10-8-22(9-11-33)34-23(6-7-25(34)35)27(36)31-24-15-21(14-19(3)30-24)28(37)32(4)5/h12-15,22-23H,6-11,16H2,1-5H3,(H,30,31,36)/t23-/m1/s1
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61.3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123065
PNG
(US8742115, 4)
Show SMILES Cc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C24H29ClN4O2/c1-16-7-10-26-22(13-16)27-24(31)21-5-6-23(30)29(21)19-8-11-28(12-9-19)15-18-3-4-20(25)17(2)14-18/h3-4,7,10,13-14,19,21H,5-6,8-9,11-12,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
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67.5n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123063
PNG
(US8742115, 2)
Show SMILES Cc1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 |r|
Show InChI InChI=1S/C24H29ClN4O2/c1-16-14-18(6-7-20(16)25)15-28-12-10-19(11-13-28)29-21(8-9-23(29)30)24(31)27-22-5-3-4-17(2)26-22/h3-7,14,19,21H,8-13,15H2,1-2H3,(H,26,27,31)/t21-/m1/s1
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69.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123090
PNG
(US8742115, 30)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(F)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C27H34FN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
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70.3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123067
PNG
(US8742115, 6)
Show SMILES CNC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1 |r|
Show InChI InChI=1S/C25H30ClN5O3/c1-16-14-17(6-7-19(16)26)15-30-12-10-18(11-13-30)31-21(8-9-23(31)32)25(34)29-22-5-3-4-20(28-22)24(33)27-2/h3-7,14,18,21H,8-13,15H2,1-2H3,(H,27,33)(H,28,29,34)/t21-/m1/s1
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72n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123091
PNG
(US8742115, 31)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(c3)C(F)(F)F)CC2)c1 |r|
Show InChI InChI=1S/C27H31ClF3N5O3/c1-16-12-18(26(39)34(2)3)14-23(32-16)33-25(38)22-6-7-24(37)36(22)19-8-10-35(11-9-19)15-17-4-5-21(28)20(13-17)27(29,30)31/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,32,33,38)/t22-/m1/s1
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87.2n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123066
PNG
(US8742115, 5)
Show SMILES CCc1ccnc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1 |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-3-18-8-11-27-23(15-18)28-25(32)22-6-7-24(31)30(22)20-9-12-29(13-10-20)16-19-4-5-21(26)17(2)14-19/h4-5,8,11,14-15,20,22H,3,6-7,9-10,12-13,16H2,1-2H3,(H,27,28,32)/t22-/m1/s1
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197n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123086
PNG
(US8742115, 26)
Show SMILES COc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r|
Show InChI InChI=1S/C27H34ClN5O4/c1-17-13-18(5-6-21(17)28)16-32-11-9-20(10-12-32)33-22(7-8-25(33)34)26(35)30-23-14-19(27(36)31(2)3)15-24(29-23)37-4/h5-6,13-15,20,22H,7-12,16H2,1-4H3,(H,29,30,35)/t22-/m1/s1
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232n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123087
PNG
(US8742115, 27)
Show SMILES CCCCc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)N(C)C |r|
Show InChI InChI=1S/C30H40ClN5O3/c1-5-6-7-23-17-22(30(39)34(3)4)18-27(32-23)33-29(38)26-10-11-28(37)36(26)24-12-14-35(15-13-24)19-21-8-9-25(31)20(2)16-21/h8-9,16-18,24,26H,5-7,10-15,19H2,1-4H3,(H,32,33,38)/t26-/m1/s1
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414n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123075
PNG
(US8742115, 14)
Show SMILES CN(C(=O)[C@H]1CCC(=O)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1)c1ccccn1 |r|
Show InChI InChI=1S/C24H29ClN4O2/c1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t21-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxi...


US Patent US8742115 (2014)


BindingDB Entry DOI: 10.7270/Q2V986QD
More data for this
Ligand-Target Pair