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Compile Data Set for Download or QSAR

Found 1375 hits Enz. Inhib. hit(s) with Target = 'Atypical chemokine receptor 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50555343
PNG
(CHEMBL4782111)
Show SMILES Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1
Show InChI InChI=1S/C27H28F2N6O3/c28-17-4-5-18(20(29)12-17)23-13-22(34-38-23)25(37)32-21-6-11-35(14-16-2-3-16)15-19(21)24(36)33-27(7-8-27)26-30-9-1-10-31-26/h1,4-5,9-10,12-13,16,19,21H,2-3,6-8,11,14-15H2,(H,32,37)(H,33,36)/t19-,21-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tag fused human CXCR7 expressed in HEK293 cells by HTRF assay


J Med Chem 63: 15864-15882 (2020)

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
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
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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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 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
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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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 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))
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
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
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))
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))
BDBM50380130
PNG
(CHEMBL2013230)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+
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7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
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
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))
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
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))
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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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 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))
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
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))
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
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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10n/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))
BDBM50380114
PNG
(CHEMBL2013216)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C=C(/C)c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(21-10-7-6-8-11-21)13-16-29(17-14-23-12-9-15-28(23)2)27(30)22-18-24(31-3)26(33-5)25(19-22)32-4/h6-8,10-11,13,18-19,23H,9,12,14-17H2,1-5H3/b20-13+
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12.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2
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))
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2
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 CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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 CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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))
BDBM50380134
PNG
(CHEMBL2013215)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C27H36N2O4/c1-20(16-21-10-7-6-8-11-21)19-29(15-13-23-12-9-14-28(23)2)27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h6-8,10-11,16-18,23H,9,12-15,19H2,1-5H3/b20-16+
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15.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264280
PNG
(CHEMBL4084050)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC1)[C@@H](CC(N)=O)C1CCN(CC1)C(=O)[C@H]1C[C@@H]2CC[C@H]1O2
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50380131
PNG
(CHEMBL2013231)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C26H33FN2O3/c1-19(16-20-8-5-6-10-23(20)27)18-29(15-13-22-9-7-14-28(22)2)26(30)21-11-12-24(31-3)25(17-21)32-4/h5-6,8,10-12,16-17,22H,7,9,13-15,18H2,1-4H3/b19-16+
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19.9n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
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
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))
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
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
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
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
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
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
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))
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
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
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
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
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))
BDBM50380121
PNG
(CHEMBL2013219)
Show SMILES COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1
Show InChI InChI=1S/C26H34N2O3/c1-20(17-21-9-6-5-7-10-21)19-28(16-14-23-11-8-15-27(23)2)26(29)22-12-13-24(30-3)25(18-22)31-4/h5-7,9-10,12-13,17-18,23H,8,11,14-16,19H2,1-4H3/b20-17+
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25.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
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))
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
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
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))
BDBM50380123
PNG
(CHEMBL2013222)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1F
Show InChI InChI=1S/C27H34F2N2O4/c1-18(13-19-8-9-21(28)16-23(19)29)17-31(12-10-22-7-6-11-30(22)2)27(32)20-14-24(33-3)26(35-5)25(15-20)34-4/h8-9,13-16,22H,6-7,10-12,17H2,1-5H3/b18-13+
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
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
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))
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
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
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
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))
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
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))
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))
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
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
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))
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
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
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))
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))
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
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
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
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))
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
Atypical chemokine receptor 3


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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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47n/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))
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


(Homo sapiens (Human))
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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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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


(Homo sapiens (Human))
BDBM50380125
PNG
(CHEMBL2013224)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccc(F)cc1
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-22(28)11-9-20)18-30(14-12-23-7-6-13-29(23)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h8-11,15-17,23H,6-7,12-14,18H2,1-5H3/b19-15+
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50.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Atypical chemokine receptor 3


(Mus musculus)
BDBM50264279
PNG
(CHEMBL4072602)
Show SMILES CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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
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