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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'canterbury' and Initial = 'd'   
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
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335698
PNG
((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...)
Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
Show InChI InChI=1S/C21H21N3O2/c1-13-5-3-6-18-15(13)11-14(12-23-18)17-8-7-16(19(25)24-17)21(2)9-4-10-22-20(21)26/h3,5-8,11-12H,4,9-10H2,1-2H3,(H,22,26)(H,24,25)/t21-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335700
PNG
((R)-6-(5-Ethylquinolin-7-yl)-3-(3-methyl-2-oxopipe...)
Show SMILES CCc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
Show InChI InChI=1S/C22H23N3O2/c1-3-14-12-15(13-19-16(14)6-4-10-23-19)18-8-7-17(20(26)25-18)22(2)9-5-11-24-21(22)27/h4,6-8,10,12-13H,3,5,9,11H2,1-2H3,(H,24,27)(H,25,26)/t22-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335699
PNG
((R)-3-(3-Methyl-2-oxopiperidin-3-yl)-6-(5-methylqu...)
Show SMILES Cc1cc(cc2ncccc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCCNC1=O
Show InChI InChI=1S/C21H21N3O2/c1-13-11-14(12-18-15(13)5-3-9-22-18)17-7-6-16(19(25)24-17)21(2)8-4-10-23-20(21)26/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,23,26)(H,24,25)/t21-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335702
PNG
((R)-6-(5-Cyclopropylquinolin-7-yl)-3-(3-methyl-2-o...)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(C2CC2)c2cccnc2c1
Show InChI InChI=1S/C23H23N3O2/c1-23(9-3-11-25-22(23)28)18-7-8-19(26-21(18)27)15-12-17(14-5-6-14)16-4-2-10-24-20(16)13-15/h2,4,7-8,10,12-14H,3,5-6,9,11H2,1H3,(H,25,28)(H,26,27)/t23-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
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7.94n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335701
PNG
((R)-6-(5-Chloroquinolin-7-yl)-3-(3-methyl-2-oxopip...)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc([nH]c1=O)-c1cc(Cl)c2cccnc2c1
Show InChI InChI=1S/C20H18ClN3O2/c1-20(7-3-9-23-19(20)26)14-5-6-16(24-18(14)25)12-10-15(21)13-4-2-8-22-17(13)11-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264278
PNG
(CHEMBL4064803)
Show SMILES COc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H26N4OS/c1-30-22-11-10-19-9-5-12-26-23(19)24(22)29-14-6-13-28(15-16-29)17-21-18-31-25(27-21)20-7-3-2-4-8-20/h2-5,7-12,18H,6,13-17H2,1H3
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<13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by membrane-competitive-binding assay


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335704
PNG
((R)-3-(3-Methyl-2-oxopyrrolidin-3-yl)-6-(5-methylq...)
Show SMILES Cc1cccc2ncc(cc12)-c1ccc(c(=O)[nH]1)[C@@]1(C)CCNC1=O
Show InChI InChI=1S/C20H19N3O2/c1-12-4-3-5-17-14(12)10-13(11-22-17)16-7-6-15(18(24)23-16)20(2)8-9-21-19(20)25/h3-7,10-11H,8-9H2,1-2H3,(H,21,25)(H,23,24)/t20-/m1/s1
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18.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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29n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264271
PNG
(CHEMBL4086432)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5S/c1-18-8-12-28-13-9-24-22(28)21(18)27-11-5-10-26(14-15-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264277
PNG
(CHEMBL4092499)
Show SMILES FC(F)(F)Oc1ccc2cccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C25H23F3N4OS/c26-25(27,28)33-21-10-9-18-8-4-11-29-22(18)23(21)32-13-5-12-31(14-15-32)16-20-17-34-24(30-20)19-6-2-1-3-7-19/h1-4,6-11,17H,5,12-16H2
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42n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype


(Homo sapiens (Human))
BDBM335703
PNG
((R)-3-(6-(5-fluoroquinolin-7-yl)-2-hydroxypyridin-...)
Show SMILES C[C@@]1(CCCNC1=O)c1ccc(nc1O)-c1cc(F)c2cccnc2c1
Show InChI InChI=1S/C20H18FN3O2/c1-20(7-3-9-23-19(20)26)14-5-6-16(24-18(14)25)12-10-15(21)13-4-2-8-22-17(13)11-12/h2,4-6,8,10-11H,3,7,9H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
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US Patent
48.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
To measure the ability of test compounds in the present invention to bind to the human EP3 receptor, and therefore have the potential to antagonize P...


US Patent US9738626 (2017)


BindingDB Entry DOI: 10.7270/Q2CF9S7K
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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50n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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51n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from mouse CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264304
PNG
(CHEMBL4105264)
Show SMILES COc1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H25N5OS/c1-29-20-8-12-28-13-9-24-22(28)21(20)27-11-5-10-26(14-15-27)16-19-17-30-23(25-19)18-6-3-2-4-7-18/h2-4,6-9,12-13,17H,5,10-11,14-16H2,1H3
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52n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264248
PNG
(CHEMBL4090193)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22-,23+/m0/s1
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264275
PNG
(CHEMBL4095095)
Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3
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730n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264300
PNG
(CHEMBL4067018)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1
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760n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264272
PNG
(CHEMBL4064969)
Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2
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760n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264300
PNG
(CHEMBL4067018)
Show SMILES [H][C@]12CC[C@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m1/s1
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264275
PNG
(CHEMBL4095095)
Show SMILES CC(C)c1cc2cccnc2c(n1)N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C26H29N5S/c1-19(2)23-16-21-10-6-11-27-24(21)25(29-23)31-13-7-12-30(14-15-31)17-22-18-32-26(28-22)20-8-4-3-5-9-20/h3-6,8-11,16,18-19H,7,12-15,17H2,1-2H3
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264272
PNG
(CHEMBL4064969)
Show SMILES FC(F)(F)c1ccn2ccnc2c1N1CCCN(Cc2csc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H22F3N5S/c24-23(25,26)19-7-11-31-12-8-27-21(31)20(19)30-10-4-9-29(13-14-30)15-18-16-32-22(28-18)17-5-2-1-3-6-17/h1-3,5-8,11-12,16H,4,9-10,13-15H2
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794n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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950n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264270
PNG
(CHEMBL4088584)
Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1
Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3
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999n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264276
PNG
(CHEMBL4066544)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-7-13-29-16-10-26-24(29)23(20)28-12-4-11-27(17-18-28)19-21-8-14-30(15-9-21)25(31)22-5-2-3-6-22/h7,10,13,16,21-22H,2-6,8-9,11-12,14-15,17-19H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264270
PNG
(CHEMBL4088584)
Show SMILES Cc1cc(N2CCCN(Cc3csc(n3)-c3ccccc3)CC2)c2nccn2c1
Show InChI InChI=1S/C23H25N5S/c1-18-14-21(22-24-8-11-28(22)15-18)27-10-5-9-26(12-13-27)16-20-17-29-23(25-20)19-6-3-2-4-7-19/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264274
PNG
(CHEMBL4067681)
Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2
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1.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264274
PNG
(CHEMBL4067681)
Show SMILES C(N1CCCN(CC1)c1nccc2cccnc12)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H23N5S/c1-2-6-19(7-3-1)23-26-20(17-29-23)16-27-12-5-13-28(15-14-27)22-21-18(9-11-25-22)8-4-10-24-21/h1-4,6-11,17H,5,12-16H2
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565931
PNG
(CHEMBL4787096)
Show SMILES C[C@H](Oc1cc(cnc1N)-c1c[nH]nc1C)c1cc(F)ccc1-n1cccn1 |r|
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3.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565919
PNG
(CHEMBL4794362)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)c(F)cc1-n1cccn1 |r|
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4.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565920
PNG
(CHEMBL4784517)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1 |r|
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4.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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>6.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264281
PNG
(CHEMBL4061464)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3
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PubMed
7.94E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565925
PNG
(CHEMBL4778780)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CCO)ncc2cc1-n1cccn1 |r|
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8.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264281
PNG
(CHEMBL4061464)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCCN(C2)C(=O)C2CCCC2)CC1
Show InChI InChI=1S/C25H37N5O/c1-20-9-14-29-15-10-26-24(29)23(20)28-13-5-11-27(16-17-28)18-21-6-4-12-30(19-21)25(31)22-7-2-3-8-22/h9-10,14-15,21-22H,2-8,11-13,16-19H2,1H3
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>8.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264269
PNG
(CHEMBL4075306)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1
Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3
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>9.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264269
PNG
(CHEMBL4075306)
Show SMILES Cc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)C2CCOC2)CC1
Show InChI InChI=1S/C24H35N5O2/c1-19-3-10-28-13-7-25-23(28)22(19)27-9-2-8-26(14-15-27)17-20-4-11-29(12-5-20)24(30)21-6-16-31-18-21/h3,7,10,13,20-21H,2,4-6,8-9,11-12,14-18H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r|
Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264247
PNG
(CHEMBL4103538)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1
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1.25E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264247
PNG
(CHEMBL4103538)
Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(C)ccn3ccnc23)CC1 |r|
Show InChI InChI=1S/C26H37N5O2/c1-19-5-11-30-14-8-27-25(30)24(19)29-10-2-9-28(15-16-29)18-20-6-12-31(13-7-20)26(32)22-17-21-3-4-23(22)33-21/h5,8,11,14,20-23H,2-4,6-7,9-10,12-13,15-18H2,1H3/t21-,22+,23+/m0/s1
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1.26E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL12 from human CXCR7 expressed in CHO-K1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 61: 3685-3696 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00190
BindingDB Entry DOI: 10.7270/Q2KD21C4
More data for this
Ligand-Target Pair
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