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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50000443   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250387
PNG
(CHEMBL4102791)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2Cl)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H60ClN11O6/c54-39-19-7-4-15-34(39)16-11-25-64-32-47(66)60-44(28-35-30-58-40-20-8-5-17-37(35)40)49(68)62-43(27-33-13-2-1-3-14-33)48(67)63-45(29-36-31-59-41-21-9-6-18-38(36)41)50(69)61-42(22-10-24-57-53(55)56)51(70)65-26-12-23-46(65)52(64)71/h1-9,13-15,17-21,30-31,42-46,58-59H,10-12,16,22-29,32H2,(H,60,66)(H,61,69)(H,62,68)(H,63,67)(H4,55,56,57)/t42-,43+,44-,45-,46+/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250387
PNG
(CHEMBL4102791)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2Cl)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H60ClN11O6/c54-39-19-7-4-15-34(39)16-11-25-64-32-47(66)60-44(28-35-30-58-40-20-8-5-17-37(35)40)49(68)62-43(27-33-13-2-1-3-14-33)48(67)63-45(29-36-31-59-41-21-9-6-18-38(36)41)50(69)61-42(22-10-24-57-53(55)56)51(70)65-26-12-23-46(65)52(64)71/h1-9,13-15,17-21,30-31,42-46,58-59H,10-12,16,22-29,32H2,(H,60,66)(H,61,69)(H,62,68)(H,63,67)(H4,55,56,57)/t42-,43+,44-,45-,46+/m0/s1
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5.01n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250402
PNG
(CHEMBL4084835)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H59F2N11O6/c54-36-21-20-33(39(55)28-36)13-9-23-65-31-47(67)61-44(26-34-29-59-40-16-6-4-14-37(34)40)49(69)63-43(25-32-11-2-1-3-12-32)48(68)64-45(27-35-30-60-41-17-7-5-15-38(35)41)50(70)62-42(18-8-22-58-53(56)57)51(71)66-24-10-19-46(66)52(65)72/h1-7,11-12,14-17,20-21,28-30,42-46,59-60H,8-10,13,18-19,22-27,31H2,(H,61,67)(H,62,70)(H,63,69)(H,64,68)(H4,56,57,58)/t42-,43+,44-,45-,46+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250402
PNG
(CHEMBL4084835)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H59F2N11O6/c54-36-21-20-33(39(55)28-36)13-9-23-65-31-47(67)61-44(26-34-29-59-40-16-6-4-14-37(34)40)49(69)63-43(25-32-11-2-1-3-12-32)48(68)64-45(27-35-30-60-41-17-7-5-15-38(35)41)50(70)62-42(18-8-22-58-53(56)57)51(71)66-24-10-19-46(66)52(65)72/h1-7,11-12,14-17,20-21,28-30,42-46,59-60H,8-10,13,18-19,22-27,31H2,(H,61,67)(H,62,70)(H,63,69)(H,64,68)(H4,56,57,58)/t42-,43+,44-,45-,46+/m0/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250395
PNG
(CHEMBL4103373)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C49H61N7O6S/c1-49(2,3)30-41-46(60)53-40(29-37-32-63-33-50-37)47(61)56-27-15-25-42(56)48(62)55(26-14-23-35-18-9-5-10-19-35)31-43(57)51-38(24-13-22-34-16-7-4-8-17-34)44(58)52-39(45(59)54-41)28-36-20-11-6-12-21-36/h4-12,16-21,32-33,38-42H,13-15,22-31H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t38-,39+,40-,41-,42+/m0/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250395
PNG
(CHEMBL4103373)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C49H61N7O6S/c1-49(2,3)30-41-46(60)53-40(29-37-32-63-33-50-37)47(61)56-27-15-25-42(56)48(62)55(26-14-23-35-18-9-5-10-19-35)31-43(57)51-38(24-13-22-34-16-7-4-8-17-34)44(58)52-39(45(59)54-41)28-36-20-11-6-12-21-36/h4-12,16-21,32-33,38-42H,13-15,22-31H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t38-,39+,40-,41-,42+/m0/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250375
PNG
(CHEMBL4077017)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C48H57F2N7O7S/c1-48(2,3)25-39-44(60)54-38(24-35-29-65-30-51-35)46(62)57-21-11-17-41(57)47(63)56(20-10-16-33-18-19-34(49)23-36(33)50)26-42(58)52-40(28-64-27-32-14-8-5-9-15-32)45(61)53-37(43(59)55-39)22-31-12-6-4-7-13-31/h4-9,12-15,18-19,23,29-30,37-41H,10-11,16-17,20-22,24-28H2,1-3H3,(H,52,58)(H,53,61)(H,54,60)(H,55,59)/t37-,38+,39+,40+,41-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250375
PNG
(CHEMBL4077017)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](COCc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C48H57F2N7O7S/c1-48(2,3)25-39-44(60)54-38(24-35-29-65-30-51-35)46(62)57-21-11-17-41(57)47(63)56(20-10-16-33-18-19-34(49)23-36(33)50)26-42(58)52-40(28-64-27-32-14-8-5-9-15-32)45(61)53-37(43(59)55-39)22-31-12-6-4-7-13-31/h4-9,12-15,18-19,23,29-30,37-41H,10-11,16-17,20-22,24-28H2,1-3H3,(H,52,58)(H,53,61)(H,54,60)(H,55,59)/t37-,38+,39+,40+,41-/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250391
PNG
(CHEMBL4064492)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C51H58N8O6S/c1-57-45(31-40-34-66-35-53-40)48(62)56-43(30-39-22-12-26-52-32-39)50(64)59-28-14-25-44(59)51(65)58(27-13-23-37-17-7-3-8-18-37)33-46(60)54-41(24-11-21-36-15-5-2-6-16-36)47(61)55-42(49(57)63)29-38-19-9-4-10-20-38/h2-10,12,15-20,22,26,32,34-35,41-45H,11,13-14,21,23-25,27-31,33H2,1H3,(H,54,60)(H,55,61)(H,56,62)/t41-,42+,43-,44+,45-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250391
PNG
(CHEMBL4064492)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C51H58N8O6S/c1-57-45(31-40-34-66-35-53-40)48(62)56-43(30-39-22-12-26-52-32-39)50(64)59-28-14-25-44(59)51(65)58(27-13-23-37-17-7-3-8-18-37)33-46(60)54-41(24-11-21-36-15-5-2-6-16-36)47(61)55-42(49(57)63)29-38-19-9-4-10-20-38/h2-10,12,15-20,22,26,32,34-35,41-45H,11,13-14,21,23-25,27-31,33H2,1H3,(H,54,60)(H,55,61)(H,56,62)/t41-,42+,43-,44+,45-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H60N8O6/c64-50-37-62(30-14-24-39-18-6-2-7-19-39)55(69)49-28-15-31-63(49)54(68)48(33-41-23-13-29-56-35-41)61-53(67)47(34-42-36-57-44-26-11-10-25-43(42)44)60-52(66)46(32-40-20-8-3-9-21-40)59-51(65)45(58-50)27-12-22-38-16-4-1-5-17-38/h1-11,13,16-21,23,25-26,29,35-36,45-49,57H,12,14-15,22,24,27-28,30-34,37H2,(H,58,64)(H,59,65)(H,60,66)(H,61,67)/t45-,46+,47-,48-,49+/m0/s1
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23n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250401
PNG
(CHEMBL4067701)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C50H56N8O6S/c59-45-32-57(26-12-22-36-16-6-2-7-17-36)50(64)44-24-13-27-58(44)49(63)43(29-38-21-11-25-51-31-38)56-48(62)42(30-39-33-65-34-52-39)55-47(61)41(28-37-18-8-3-9-19-37)54-46(60)40(53-45)23-10-20-35-14-4-1-5-15-35/h1-9,11,14-19,21,25,31,33-34,40-44H,10,12-13,20,22-24,26-30,32H2,(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t40-,41+,42-,43-,44+/m0/s1
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250380
PNG
(CHEMBL4070766)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H60N8O6/c64-50-37-62(30-14-24-39-18-6-2-7-19-39)55(69)49-28-15-31-63(49)54(68)48(33-41-23-13-29-56-35-41)61-53(67)47(34-42-36-57-44-26-11-10-25-43(42)44)60-52(66)46(32-40-20-8-3-9-21-40)59-51(65)45(58-50)27-12-22-38-16-4-1-5-17-38/h1-11,13,16-21,23,25-26,29,35-36,45-49,57H,12,14-15,22,24,27-28,30-34,37H2,(H,58,64)(H,59,65)(H,60,66)(H,61,67)/t45-,46+,47-,48-,49+/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250393
PNG
(CHEMBL4097577)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H55F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h4-9,12-15,18-19,24,28-29,36-40H,10-11,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250393
PNG
(CHEMBL4097577)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H55F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h4-9,12-15,18-19,24,28-29,36-40H,10-11,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250401
PNG
(CHEMBL4067701)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C50H56N8O6S/c59-45-32-57(26-12-22-36-16-6-2-7-17-36)50(64)44-24-13-27-58(44)49(63)43(29-38-21-11-25-51-31-38)56-48(62)42(30-39-33-65-34-52-39)55-47(61)41(28-37-18-8-3-9-19-37)54-46(60)40(53-45)23-10-20-35-14-4-1-5-15-35/h1-9,11,14-19,21,25,31,33-34,40-44H,10,12-13,20,22-24,26-30,32H2,(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t40-,41+,42-,43-,44+/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250386
PNG
(CHEMBL4095028)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C53H56N10O6/c64-48-32-62(23-11-17-34-13-3-1-4-14-34)53(69)47-22-12-24-63(47)52(68)46(28-38-31-54-33-57-38)61-51(67)45(27-37-30-56-42-21-10-8-19-40(37)42)60-49(65)43(25-35-15-5-2-6-16-35)59-50(66)44(58-48)26-36-29-55-41-20-9-7-18-39(36)41/h1-10,13-16,18-21,29-31,33,43-47,55-56H,11-12,17,22-28,32H2,(H,54,57)(H,58,64)(H,59,66)(H,60,65)(H,61,67)/t43-,44+,45+,46+,47-/m1/s1
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250396
PNG
(CHEMBL4088926)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC1=O |r|
Show InChI InChI=1S/C51H63N7O6/c1-51(2,3)33-43-48(62)55-42(32-39-24-14-28-52-34-39)49(63)58-30-16-27-44(58)50(64)57(29-15-25-37-19-9-5-10-20-37)35-45(59)53-40(26-13-23-36-17-7-4-8-18-36)46(60)54-41(47(61)56-43)31-38-21-11-6-12-22-38/h4-12,14,17-22,24,28,34,40-44H,13,15-16,23,25-27,29-33,35H2,1-3H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t40-,41+,42-,43-,44+/m0/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250386
PNG
(CHEMBL4095028)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C53H56N10O6/c64-48-32-62(23-11-17-34-13-3-1-4-14-34)53(69)47-22-12-24-63(47)52(68)46(28-38-31-54-33-57-38)61-51(67)45(27-37-30-56-42-21-10-8-19-40(37)42)60-49(65)43(25-35-15-5-2-6-16-35)59-50(66)44(58-48)26-36-29-55-41-20-9-7-18-39(36)41/h1-10,13-16,18-21,29-31,33,43-47,55-56H,11-12,17,22-28,32H2,(H,54,57)(H,58,64)(H,59,66)(H,60,65)(H,61,67)/t43-,44+,45+,46+,47-/m1/s1
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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 CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250384
PNG
(CHEMBL4073495)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C53H55N9O6S/c63-48-31-61(23-11-17-34-13-3-1-4-14-34)53(68)47-22-12-24-62(47)52(67)46(28-38-32-69-33-56-38)60-51(66)45(27-37-30-55-42-21-10-8-19-40(37)42)59-49(64)43(25-35-15-5-2-6-16-35)58-50(65)44(57-48)26-36-29-54-41-20-9-7-18-39(36)41/h1-10,13-16,18-21,29-30,32-33,43-47,54-55H,11-12,17,22-28,31H2,(H,57,63)(H,58,65)(H,59,64)(H,60,66)/t43-,44+,45+,46+,47-/m1/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250384
PNG
(CHEMBL4073495)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C53H55N9O6S/c63-48-31-61(23-11-17-34-13-3-1-4-14-34)53(68)47-22-12-24-62(47)52(67)46(28-38-32-69-33-56-38)60-51(66)45(27-37-30-55-42-21-10-8-19-40(37)42)59-49(64)43(25-35-15-5-2-6-16-35)58-50(65)44(57-48)26-36-29-54-41-20-9-7-18-39(36)41/h1-10,13-16,18-21,29-30,32-33,43-47,54-55H,11-12,17,22-28,31H2,(H,57,63)(H,58,65)(H,59,64)(H,60,66)/t43-,44+,45+,46+,47-/m1/s1
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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 CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250373
PNG
(CHEMBL4089847)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H61F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h5,8-9,14-15,18-19,24,28-30,36-40H,4,6-7,10-13,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
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32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250396
PNG
(CHEMBL4088926)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC1=O |r|
Show InChI InChI=1S/C51H63N7O6/c1-51(2,3)33-43-48(62)55-42(32-39-24-14-28-52-34-39)49(63)58-30-16-27-44(58)50(64)57(29-15-25-37-19-9-5-10-20-37)35-45(59)53-40(26-13-23-36-17-7-4-8-18-36)46(60)54-41(47(61)56-43)31-38-21-11-6-12-22-38/h4-12,14,17-22,24,28,34,40-44H,13,15-16,23,25-27,29-33,35H2,1-3H3,(H,53,59)(H,54,60)(H,55,62)(H,56,61)/t40-,41+,42-,43-,44+/m0/s1
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34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250373
PNG
(CHEMBL4089847)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H61F2N7O6S/c1-47(2,3)26-39-44(60)53-38(25-34-28-63-29-50-34)45(61)56-21-11-17-40(56)46(62)55(20-10-16-32-18-19-33(48)24-35(32)49)27-41(57)51-36(22-30-12-6-4-7-13-30)42(58)52-37(43(59)54-39)23-31-14-8-5-9-15-31/h5,8-9,14-15,18-19,24,28-30,36-40H,4,6-7,10-13,16-17,20-23,25-27H2,1-3H3,(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t36-,37+,38-,39-,40+/m0/s1
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34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250392
PNG
(CHEMBL4076773)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H54F3N7O6S/c1-47(2,3)25-39-44(61)54-38(24-34-27-64-28-51-34)45(62)57-20-8-12-40(57)46(63)56(19-7-11-31-15-18-33(49)23-35(31)50)26-41(58)52-36(22-30-13-16-32(48)17-14-30)42(59)53-37(43(60)55-39)21-29-9-5-4-6-10-29/h4-6,9-10,13-18,23,27-28,36-40H,7-8,11-12,19-22,24-26H2,1-3H3,(H,52,58)(H,53,59)(H,54,61)(H,55,60)/t36-,37+,38-,39-,40+/m0/s1
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40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250392
PNG
(CHEMBL4076773)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H54F3N7O6S/c1-47(2,3)25-39-44(61)54-38(24-34-27-64-28-51-34)45(62)57-20-8-12-40(57)46(63)56(19-7-11-31-15-18-33(49)23-35(31)50)26-41(58)52-36(22-30-13-16-32(48)17-14-30)42(59)53-37(43(60)55-39)21-29-9-5-4-6-10-29/h4-6,9-10,13-18,23,27-28,36-40H,7-8,11-12,19-22,24-26H2,1-3H3,(H,52,58)(H,53,59)(H,54,61)(H,55,60)/t36-,37+,38-,39-,40+/m0/s1
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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 CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250372
PNG
(CHEMBL4100332)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-13-19-36-15-3-1-4-16-36)55(70)49-25-14-28-64(49)54(69)48(32-40-20-11-12-26-56-40)62-53(68)47(31-39-34-58-44-24-10-8-22-42(39)44)61-51(66)45(29-37-17-5-2-6-18-37)60-52(67)46(59-50)30-38-33-57-43-23-9-7-21-41(38)43/h1-12,15-18,20-24,26,33-34,45-49,57-58H,13-14,19,25,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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63n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250397
PNG
(CHEMBL4078598)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H63N7O6/c63-50-39-61(34-16-29-42-22-9-3-10-23-42)55(68)49-32-17-35-62(49)54(67)48(37-44-28-15-33-56-38-44)60-52(65)46(31-14-27-41-20-7-2-8-21-41)58-53(66)47(36-43-24-11-4-12-25-43)59-51(64)45(57-50)30-13-26-40-18-5-1-6-19-40/h1-12,15,18-25,28,33,38,45-49H,13-14,16-17,26-27,29-32,34-37,39H2,(H,57,63)(H,58,66)(H,59,64)(H,60,65)/t45-,46-,47+,48-,49+/m0/s1
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63n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250372
PNG
(CHEMBL4100332)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-13-19-36-15-3-1-4-16-36)55(70)49-25-14-28-64(49)54(69)48(32-40-20-11-12-26-56-40)62-53(68)47(31-39-34-58-44-24-10-8-22-42(39)44)61-51(66)45(29-37-17-5-2-6-18-37)60-52(67)46(59-50)30-38-33-57-43-23-9-7-21-41(38)43/h1-12,15-18,20-24,26,33-34,45-49,57-58H,13-14,19,25,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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63n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250397
PNG
(CHEMBL4078598)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C55H63N7O6/c63-50-39-61(34-16-29-42-22-9-3-10-23-42)55(68)49-32-17-35-62(49)54(67)48(37-44-28-15-33-56-38-44)60-52(65)46(31-14-27-41-20-7-2-8-21-41)58-53(66)47(36-43-24-11-4-12-25-43)59-51(64)45(57-50)30-13-26-40-18-5-1-6-19-40/h1-12,15,18-25,28,33,38,45-49H,13-14,16-17,26-27,29-32,34-37,39H2,(H,57,63)(H,58,66)(H,59,64)(H,60,65)/t45-,46-,47+,48-,49+/m0/s1
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63.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250400
PNG
(CHEMBL4076014)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(26-12-19-36-14-3-1-4-15-36)55(70)49-24-13-27-64(49)54(69)48(29-38-18-11-25-56-32-38)62-53(68)47(31-40-34-58-44-23-10-8-21-42(40)44)61-51(66)45(28-37-16-5-2-6-17-37)60-52(67)46(59-50)30-39-33-57-43-22-9-7-20-41(39)43/h1-11,14-18,20-23,25,32-34,45-49,57-58H,12-13,19,24,26-31,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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79n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250378
PNG
(CHEMBL4096619)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C54H61N7O6/c62-49-38-60(33-15-27-40-19-7-2-8-20-40)54(67)48-29-16-34-61(48)53(66)47(36-43-26-14-32-55-37-43)59-51(64)45(31-30-41-21-9-3-10-22-41)57-52(65)46(35-42-23-11-4-12-24-42)58-50(63)44(56-49)28-13-25-39-17-5-1-6-18-39/h1-12,14,17-24,26,32,37,44-48H,13,15-16,25,27-31,33-36,38H2,(H,56,62)(H,57,65)(H,58,63)(H,59,64)/t44-,45-,46+,47-,48+/m0/s1
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79n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250378
PNG
(CHEMBL4096619)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCc2ccccc2)N1 |r|
Show InChI InChI=1S/C54H61N7O6/c62-49-38-60(33-15-27-40-19-7-2-8-20-40)54(67)48-29-16-34-61(48)53(66)47(36-43-26-14-32-55-37-43)59-51(64)45(31-30-41-21-9-3-10-22-41)57-52(65)46(35-42-23-11-4-12-24-42)58-50(63)44(56-49)28-13-25-39-17-5-1-6-18-39/h1-12,14,17-24,26,32,37,44-48H,13,15-16,25,27-31,33-36,38H2,(H,56,62)(H,57,65)(H,58,63)(H,59,64)/t44-,45-,46+,47-,48+/m0/s1
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79.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250400
PNG
(CHEMBL4076014)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(26-12-19-36-14-3-1-4-15-36)55(70)49-24-13-27-64(49)54(69)48(29-38-18-11-25-56-32-38)62-53(68)47(31-40-34-58-44-23-10-8-21-42(40)44)61-51(66)45(28-37-16-5-2-6-17-37)60-52(67)46(59-50)30-39-33-57-43-22-9-7-20-41(39)43/h1-11,14-18,20-23,25,32-34,45-49,57-58H,12-13,19,24,26-31,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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79.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250374
PNG
(CHEMBL4061773)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H59F2N7O6S/c1-44(2,3)23-35-40(57)50-33(20-28-12-8-7-9-13-28)39(56)52-36(24-45(4,5)6)41(58)51-34(22-31-26-61-27-48-31)42(59)54-19-11-15-37(54)43(60)53(25-38(55)49-35)18-10-14-29-16-17-30(46)21-32(29)47/h7-9,12-13,16-17,21,26-27,33-37H,10-11,14-15,18-20,22-25H2,1-6H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)/t33-,34+,35+,36+,37-/m1/s1
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95n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250388
PNG
(CHEMBL4099374)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H61N11O6/c54-53(55)56-25-11-23-42-51(69)64-27-13-24-46(64)52(70)63(26-12-18-34-14-3-1-4-15-34)33-47(65)59-44(29-36-31-57-40-21-9-7-19-38(36)40)49(67)61-43(28-35-16-5-2-6-17-35)48(66)62-45(50(68)60-42)30-37-32-58-41-22-10-8-20-39(37)41/h1-10,14-17,19-22,31-32,42-46,57-58H,11-13,18,23-30,33H2,(H,59,65)(H,60,68)(H,61,67)(H,62,66)(H4,54,55,56)/t42-,43+,44-,45-,46+/m0/s1
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96n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250374
PNG
(CHEMBL4061773)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)CN(CCCc2ccc(F)cc2F)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C45H59F2N7O6S/c1-44(2,3)23-35-40(57)50-33(20-28-12-8-7-9-13-28)39(56)52-36(24-45(4,5)6)41(58)51-34(22-31-26-61-27-48-31)42(59)54-19-11-15-37(54)43(60)53(25-38(55)49-35)18-10-14-29-16-17-30(46)21-32(29)47/h7-9,12-13,16-17,21,26-27,33-37H,10-11,14-15,18-20,22-25H2,1-6H3,(H,49,55)(H,50,57)(H,51,58)(H,52,56)/t33-,34+,35+,36+,37-/m1/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250388
PNG
(CHEMBL4099374)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C53H61N11O6/c54-53(55)56-25-11-23-42-51(69)64-27-13-24-46(64)52(70)63(26-12-18-34-14-3-1-4-15-34)33-47(65)59-44(29-36-31-57-40-21-9-7-19-38(36)40)49(67)61-43(28-35-16-5-2-6-17-35)48(66)62-45(50(68)60-42)30-37-32-58-41-22-10-8-20-39(37)41/h1-10,14-17,19-22,31-32,42-46,57-58H,11-13,18,23-30,33H2,(H,59,65)(H,60,68)(H,61,67)(H,62,66)(H4,54,55,56)/t42-,43+,44-,45-,46+/m0/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250382
PNG
(CHEMBL4092596)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-11-17-36-13-3-1-4-14-36)55(70)49-22-12-28-64(49)54(69)48(30-38-23-25-56-26-24-38)62-53(68)47(32-40-34-58-44-21-10-8-19-42(40)44)61-51(66)45(29-37-15-5-2-6-16-37)60-52(67)46(59-50)31-39-33-57-43-20-9-7-18-41(39)43/h1-10,13-16,18-21,23-26,33-34,45-49,57-58H,11-12,17,22,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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189n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250382
PNG
(CHEMBL4092596)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C55H57N9O6/c65-50-35-63(27-11-17-36-13-3-1-4-14-36)55(70)49-22-12-28-64(49)54(69)48(30-38-23-25-56-26-24-38)62-53(68)47(32-40-34-58-44-21-10-8-19-42(40)44)61-51(66)45(29-37-15-5-2-6-16-37)60-52(67)46(59-50)31-39-33-57-43-20-9-7-18-41(39)43/h1-10,13-16,18-21,23-26,33-34,45-49,57-58H,11-12,17,22,27-32,35H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t45-,46+,47+,48+,49-/m1/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250376
PNG
(CHEMBL4078800)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C52H60N8O6S/c1-57-45(32-41-35-67-36-54-41)48(62)56-43(30-40-23-13-27-53-33-40)50(64)60-29-15-26-44(60)52(66)59(28-14-24-38-18-8-4-9-19-38)34-47(61)55-42(25-12-22-37-16-6-3-7-17-37)49(63)58(2)46(51(57)65)31-39-20-10-5-11-21-39/h3-11,13,16-21,23,27,33,35-36,42-46H,12,14-15,22,24-26,28-32,34H2,1-2H3,(H,55,61)(H,56,62)/t42-,43-,44+,45-,46+/m0/s1
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250376
PNG
(CHEMBL4078800)
Show SMILES CN1[C@@H](Cc2cscn2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N2CCC[C@@H]2C(=O)N(CCCc2ccccc2)CC(=O)N[C@@H](CCCc2ccccc2)C(=O)N(C)[C@H](Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C52H60N8O6S/c1-57-45(32-41-35-67-36-54-41)48(62)56-43(30-40-23-13-27-53-33-40)50(64)60-29-15-26-44(60)52(66)59(28-14-24-38-18-8-4-9-19-38)34-47(61)55-42(25-12-22-37-16-6-3-7-17-37)49(63)58(2)46(51(57)65)31-39-20-10-5-11-21-39/h3-11,13,16-21,23,27,33,35-36,42-46H,12,14-15,22,24-26,28-32,34H2,1-2H3,(H,55,61)(H,56,62)/t42-,43-,44+,45-,46+/m0/s1
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211n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250385
PNG
(CHEMBL4074560)
Show SMILES Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C54H58N10O6/c1-62-32-39(57-34-62)29-47-53(69)64-25-13-23-48(64)54(70)63(24-12-18-35-14-4-2-5-15-35)33-49(65)58-45(27-37-30-55-42-21-10-8-19-40(37)42)51(67)59-44(26-36-16-6-3-7-17-36)50(66)60-46(52(68)61-47)28-38-31-56-43-22-11-9-20-41(38)43/h2-11,14-17,19-22,30-32,34,44-48,55-56H,12-13,18,23-29,33H2,1H3,(H,58,65)(H,59,67)(H,60,66)(H,61,68)/t44-,45+,46+,47+,48-/m1/s1
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398n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250385
PNG
(CHEMBL4074560)
Show SMILES Cn1cnc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(CCCc3ccccc3)C(=O)[C@H]3CCCN3C2=O)c1 |r|
Show InChI InChI=1S/C54H58N10O6/c1-62-32-39(57-34-62)29-47-53(69)64-25-13-23-48(64)54(70)63(24-12-18-35-14-4-2-5-15-35)33-49(65)58-45(27-37-30-55-42-21-10-8-19-40(37)42)51(67)59-44(26-36-16-6-3-7-17-36)50(66)60-46(52(68)61-47)28-38-31-56-43-22-11-9-20-41(38)43/h2-11,14-17,19-22,30-32,34,44-48,55-56H,12-13,18,23-29,33H2,1H3,(H,58,65)(H,59,67)(H,60,66)(H,61,68)/t44-,45+,46+,47+,48-/m1/s1
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410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250394
PNG
(CHEMBL4081034)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H57N7O6S/c1-47(2,3)28-39-44(58)51-38(27-35-30-61-31-48-35)45(59)54-24-14-22-40(54)46(60)53(23-13-21-32-15-7-4-8-16-32)29-41(55)49-36(25-33-17-9-5-10-18-33)42(56)50-37(43(57)52-39)26-34-19-11-6-12-20-34/h4-12,15-20,30-31,36-40H,13-14,21-29H2,1-3H3,(H,49,55)(H,50,56)(H,51,58)(H,52,57)/t36-,37+,38-,39-,40+/m0/s1
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501n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250394
PNG
(CHEMBL4081034)
Show SMILES CC(C)(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cscn2)NC1=O |r|
Show InChI InChI=1S/C47H57N7O6S/c1-47(2,3)28-39-44(58)51-38(27-35-30-61-31-48-35)45(59)54-24-14-22-40(54)46(60)53(23-13-21-32-15-7-4-8-16-32)29-41(55)49-36(25-33-17-9-5-10-18-33)42(56)50-37(43(57)52-39)26-34-19-11-6-12-20-34/h4-12,15-20,30-31,36-40H,13-14,21-29H2,1-3H3,(H,49,55)(H,50,56)(H,51,58)(H,52,57)/t36-,37+,38-,39-,40+/m0/s1
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537n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250381
PNG
(CHEMBL4091646)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C56H58N8O6/c65-51-36-63(28-14-22-37-16-4-1-5-17-37)56(70)50-27-15-29-64(50)55(69)49(31-39-20-8-3-9-21-39)62-54(68)48(33-41-35-58-45-26-13-11-24-43(41)45)61-52(66)46(30-38-18-6-2-7-19-38)60-53(67)47(59-51)32-40-34-57-44-25-12-10-23-42(40)44/h1-13,16-21,23-26,34-35,46-50,57-58H,14-15,22,27-33,36H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t46-,47+,48+,49+,50-/m1/s1
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774n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250381
PNG
(CHEMBL4091646)
Show SMILES O=C1CN(CCCc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 |r|
Show InChI InChI=1S/C56H58N8O6/c65-51-36-63(28-14-22-37-16-4-1-5-17-37)56(70)50-27-15-29-64(50)55(69)49(31-39-20-8-3-9-21-39)62-54(68)48(33-41-35-58-45-26-13-11-24-43(41)45)61-52(66)46(30-38-18-6-2-7-19-38)60-53(67)47(59-51)32-40-34-57-44-25-12-10-23-42(40)44/h1-13,16-21,23-26,34-35,46-50,57-58H,14-15,22,27-33,36H2,(H,59,65)(H,60,67)(H,61,66)(H,62,68)/t46-,47+,48+,49+,50-/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 CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250377
PNG
(CHEMBL4070758)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C52H57N11O6/c53-52(54)55-22-10-20-40-50(68)62-23-11-21-44(62)51(69)63-30-33-15-5-4-14-32(33)27-45(63)49(67)61-43(26-35-29-57-39-19-9-7-17-37(35)39)48(66)59-41(24-31-12-2-1-3-13-31)46(64)60-42(47(65)58-40)25-34-28-56-38-18-8-6-16-36(34)38/h1-9,12-19,28-29,40-45,56-57H,10-11,20-27,30H2,(H,58,65)(H,59,66)(H,60,64)(H,61,67)(H4,53,54,55)/t40-,41+,42-,43-,44+,45-/m0/s1
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2.10E+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 CHOK1 cell membranes after 2 hrs by scintillation counting method


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50250390
PNG
(CHEMBL4091635)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C1=O |r|
Show InChI InChI=1S/C51H57N11O6/c52-51(53)54-23-11-21-40-49(67)62-24-12-22-44(62)50(68)61(30-33-15-5-2-6-16-33)31-45(63)57-42(26-34-28-55-38-19-9-7-17-36(34)38)47(65)59-41(25-32-13-3-1-4-14-32)46(64)60-43(48(66)58-40)27-35-29-56-39-20-10-8-18-37(35)39/h1-10,13-20,28-29,40-44,55-56H,11-12,21-27,30-31H2,(H,57,63)(H,58,66)(H,59,65)(H,60,64)(H4,52,53,54)/t40-,41+,42-,43-,44+/m0/s1
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5.01E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Modulation of ProLink-fused human CXCR7 expressed in CHOK1 cell membranes assessed as induction of EA-tagged beta-arrestin recruitment after 30 mins ...


J Med Chem 60: 9653-9663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01028
BindingDB Entry DOI: 10.7270/Q2ZG6VPQ
More data for this
Ligand-Target Pair
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